USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 773 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0162) USER MOD Single : A 7 LYS NZ :NH3+ 171:sc=-0.00382 (180deg=-0.0785) USER MOD Single : A 8 GLN : amide:sc= -0.881! K(o=-0.88!,f=-0.11) USER MOD Single : A 9 LYS NZ :NH3+ 164:sc= -0.0729 (180deg=-0.43) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot -27:sc= 0.134 USER MOD Single : A 23 SER OG : rot 136:sc= 1.23 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.00342 USER MOD Single : A 27 GLN : amide:sc= -1.22! K(o=-1.2!,f=0) USER MOD Single : A 32 THR OG1 : rot 70:sc= 0.991 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot -111:sc= 0.904 USER MOD Single : A 41 HIS : no HE2:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 43 LYS NZ :NH3+ -169:sc= -0.0266 (180deg=-0.17) USER MOD Single : A 45 HIS : no HE2:sc= -0.0366 K(o=-0.037,f=-0.76) USER MOD Single : A 46 LYS NZ :NH3+ 170:sc= -0.0161 (180deg=-0.151) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= 1.05 K(o=1.1,f=-3.4!) USER MOD Single : A 50 HIS : no HE2:sc= 0.857 K(o=0.86,f=-2.7!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -0.0672 X(o=-0.067,f=0) USER MOD Single : A 57 MET CE :methyl -119:sc= -0.353 (180deg=-1.58) USER MOD Single : A 58 MET CE :methyl -131:sc= -2.18 (180deg=-4.47) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -171:sc= 1.15 (180deg=0.994) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.312 19.386 -5.327 1.00 1.00 N ATOM 2 CA PRO A 1 2.078 18.645 -5.017 1.00 1.00 C ATOM 3 C PRO A 1 1.023 19.620 -4.581 1.00 1.00 C ATOM 4 O PRO A 1 1.346 20.686 -4.073 1.00 1.00 O ATOM 5 CB PRO A 1 2.337 17.679 -3.871 1.00 1.00 C ATOM 6 CG PRO A 1 3.754 17.932 -3.491 1.00 1.00 C ATOM 7 CD PRO A 1 4.405 18.671 -4.644 1.00 1.00 C ATOM 0 H2 PRO A 1 3.249 20.351 -5.002 1.00 1.00 H new ATOM 0 H3 PRO A 1 3.473 19.421 -6.334 1.00 1.00 H new ATOM 0 HA PRO A 1 1.754 18.096 -5.901 1.00 1.00 H new ATOM 0 HB2 PRO A 1 1.662 17.863 -3.035 1.00 1.00 H new ATOM 0 HB3 PRO A 1 2.187 16.645 -4.181 1.00 1.00 H new ATOM 0 HG2 PRO A 1 3.807 18.523 -2.577 1.00 1.00 H new ATOM 0 HG3 PRO A 1 4.273 16.994 -3.294 1.00 1.00 H new ATOM 0 HD2 PRO A 1 5.164 19.366 -4.285 1.00 1.00 H new ATOM 0 HD3 PRO A 1 4.903 17.978 -5.322 1.00 1.00 H new ATOM 17 N ILE A 2 -0.216 19.306 -4.831 1.00 1.00 N ATOM 18 CA ILE A 2 -1.288 20.141 -4.343 1.00 1.00 C ATOM 19 C ILE A 2 -1.921 19.374 -3.184 1.00 1.00 C ATOM 20 O ILE A 2 -2.264 19.935 -2.135 1.00 1.00 O ATOM 21 CB ILE A 2 -2.308 20.494 -5.439 1.00 1.00 C ATOM 22 CG1 ILE A 2 -1.611 21.322 -6.530 1.00 1.00 C ATOM 23 CG2 ILE A 2 -3.476 21.262 -4.839 1.00 1.00 C ATOM 24 CD1 ILE A 2 -2.510 21.704 -7.687 1.00 1.00 C ATOM 0 H ILE A 2 -0.512 18.488 -5.364 1.00 1.00 H new ATOM 0 HA ILE A 2 -0.908 21.107 -4.012 1.00 1.00 H new ATOM 0 HB ILE A 2 -2.700 19.580 -5.885 1.00 1.00 H new ATOM 0 HG12 ILE A 2 -1.210 22.230 -6.081 1.00 1.00 H new ATOM 0 HG13 ILE A 2 -0.763 20.755 -6.915 1.00 1.00 H new ATOM 0 HG21 ILE A 2 -4.192 21.507 -5.624 1.00 1.00 H new ATOM 0 HG22 ILE A 2 -3.964 20.649 -4.081 1.00 1.00 H new ATOM 0 HG23 ILE A 2 -3.110 22.181 -4.382 1.00 1.00 H new ATOM 0 HD11 ILE A 2 -1.942 22.286 -8.412 1.00 1.00 H new ATOM 0 HD12 ILE A 2 -2.891 20.802 -8.165 1.00 1.00 H new ATOM 0 HD13 ILE A 2 -3.345 22.300 -7.318 1.00 1.00 H new ATOM 36 N THR A 3 -2.021 18.055 -3.414 1.00 1.00 N ATOM 37 CA THR A 3 -2.504 17.067 -2.443 1.00 1.00 C ATOM 38 C THR A 3 -3.969 17.237 -2.062 1.00 1.00 C ATOM 39 O THR A 3 -4.765 16.305 -2.189 1.00 1.00 O ATOM 40 CB THR A 3 -1.631 17.071 -1.166 1.00 1.00 C ATOM 41 OG1 THR A 3 -0.256 16.964 -1.536 1.00 1.00 O ATOM 42 CG2 THR A 3 -1.998 15.902 -0.276 1.00 1.00 C ATOM 0 H THR A 3 -1.760 17.637 -4.307 1.00 1.00 H new ATOM 0 HA THR A 3 -2.421 16.105 -2.948 1.00 1.00 H new ATOM 0 HB THR A 3 -1.802 18.000 -0.622 1.00 1.00 H new ATOM 0 HG1 THR A 3 0.301 16.968 -0.730 1.00 1.00 H new ATOM 0 HG21 THR A 3 -1.376 15.917 0.619 1.00 1.00 H new ATOM 0 HG22 THR A 3 -3.047 15.978 0.010 1.00 1.00 H new ATOM 0 HG23 THR A 3 -1.835 14.969 -0.815 1.00 1.00 H new ATOM 50 N LYS A 4 -4.322 18.439 -1.639 1.00 1.00 N ATOM 51 CA LYS A 4 -5.664 18.753 -1.197 1.00 1.00 C ATOM 52 C LYS A 4 -6.745 18.292 -2.181 1.00 1.00 C ATOM 53 O LYS A 4 -7.567 17.450 -1.836 1.00 1.00 O ATOM 54 CB LYS A 4 -5.778 20.250 -0.941 1.00 1.00 C ATOM 55 CG LYS A 4 -4.785 20.783 0.095 1.00 1.00 C ATOM 56 CD LYS A 4 -4.892 20.048 1.428 1.00 1.00 C ATOM 57 CE LYS A 4 -4.044 20.697 2.522 1.00 1.00 C ATOM 58 NZ LYS A 4 -2.597 20.801 2.158 1.00 1.00 N ATOM 0 H LYS A 4 -3.678 19.229 -1.594 1.00 1.00 H new ATOM 0 HA LYS A 4 -5.838 18.201 -0.273 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -5.627 20.781 -1.881 1.00 1.00 H new ATOM 0 HB3 LYS A 4 -6.791 20.475 -0.607 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -3.771 20.684 -0.292 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -4.964 21.847 0.253 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -5.935 20.027 1.745 1.00 1.00 H new ATOM 0 HD3 LYS A 4 -4.578 19.013 1.295 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -4.432 21.694 2.731 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -4.141 20.118 3.440 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -2.063 21.186 2.963 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -2.231 19.858 1.919 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -2.490 21.432 1.338 1.00 1.00 H new ATOM 72 N GLU A 5 -6.735 18.788 -3.410 1.00 1.00 N ATOM 73 CA GLU A 5 -7.778 18.368 -4.345 1.00 1.00 C ATOM 74 C GLU A 5 -7.367 17.155 -5.151 1.00 1.00 C ATOM 75 O GLU A 5 -8.134 16.644 -5.965 1.00 1.00 O ATOM 76 CB GLU A 5 -8.197 19.483 -5.284 1.00 1.00 C ATOM 77 CG GLU A 5 -8.899 20.613 -4.572 1.00 1.00 C ATOM 78 CD GLU A 5 -9.647 21.498 -5.535 1.00 1.00 C ATOM 79 OE1 GLU A 5 -9.040 22.457 -6.049 1.00 1.00 O ATOM 80 OE2 GLU A 5 -10.839 21.216 -5.793 1.00 1.00 O ATOM 0 H GLU A 5 -6.052 19.452 -3.775 1.00 1.00 H new ATOM 0 HA GLU A 5 -8.634 18.101 -3.726 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -7.316 19.873 -5.794 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -8.857 19.077 -6.051 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -9.594 20.205 -3.838 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -8.168 21.207 -4.024 1.00 1.00 H new ATOM 87 N GLU A 6 -6.179 16.665 -4.902 1.00 1.00 N ATOM 88 CA GLU A 6 -5.707 15.495 -5.605 1.00 1.00 C ATOM 89 C GLU A 6 -6.276 14.299 -4.882 1.00 1.00 C ATOM 90 O GLU A 6 -6.779 13.342 -5.473 1.00 1.00 O ATOM 91 CB GLU A 6 -4.186 15.508 -5.632 1.00 1.00 C ATOM 92 CG GLU A 6 -3.666 16.703 -6.411 1.00 1.00 C ATOM 93 CD GLU A 6 -2.173 16.670 -6.661 1.00 1.00 C ATOM 94 OE1 GLU A 6 -1.400 16.933 -5.710 1.00 1.00 O ATOM 95 OE2 GLU A 6 -1.770 16.414 -7.809 1.00 1.00 O ATOM 0 H GLU A 6 -5.524 17.053 -4.223 1.00 1.00 H new ATOM 0 HA GLU A 6 -6.032 15.466 -6.645 1.00 1.00 H new ATOM 0 HB2 GLU A 6 -3.801 15.538 -4.613 1.00 1.00 H new ATOM 0 HB3 GLU A 6 -3.819 14.587 -6.084 1.00 1.00 H new ATOM 0 HG2 GLU A 6 -4.184 16.753 -7.369 1.00 1.00 H new ATOM 0 HG3 GLU A 6 -3.913 17.615 -5.867 1.00 1.00 H new ATOM 102 N LYS A 7 -6.262 14.429 -3.574 1.00 1.00 N ATOM 103 CA LYS A 7 -6.815 13.450 -2.696 1.00 1.00 C ATOM 104 C LYS A 7 -8.337 13.576 -2.740 1.00 1.00 C ATOM 105 O LYS A 7 -9.061 12.591 -2.675 1.00 1.00 O ATOM 106 CB LYS A 7 -6.279 13.709 -1.303 1.00 1.00 C ATOM 107 CG LYS A 7 -6.789 12.734 -0.275 1.00 1.00 C ATOM 108 CD LYS A 7 -6.170 12.980 1.090 1.00 1.00 C ATOM 109 CE LYS A 7 -6.545 14.344 1.666 1.00 1.00 C ATOM 110 NZ LYS A 7 -8.014 14.494 1.889 1.00 1.00 N ATOM 0 H LYS A 7 -5.858 15.233 -3.094 1.00 1.00 H new ATOM 0 HA LYS A 7 -6.541 12.438 -2.993 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -5.190 13.664 -1.327 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -6.550 14.720 -1.000 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -7.874 12.816 -0.203 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -6.567 11.717 -0.597 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -6.492 12.198 1.778 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -5.085 12.908 1.012 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -6.022 14.491 2.611 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -6.203 15.126 0.988 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -8.197 15.370 2.418 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -8.502 14.535 0.972 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -8.367 13.681 2.433 1.00 1.00 H new ATOM 124 N GLN A 8 -8.806 14.817 -2.863 1.00 1.00 N ATOM 125 CA GLN A 8 -10.234 15.096 -2.976 1.00 1.00 C ATOM 126 C GLN A 8 -10.805 14.373 -4.187 1.00 1.00 C ATOM 127 O GLN A 8 -11.897 13.817 -4.140 1.00 1.00 O ATOM 128 CB GLN A 8 -10.463 16.588 -3.151 1.00 1.00 C ATOM 129 CG GLN A 8 -11.918 16.996 -3.004 1.00 1.00 C ATOM 130 CD GLN A 8 -12.177 18.401 -3.502 1.00 1.00 C ATOM 131 OE1 GLN A 8 -12.965 19.137 -2.926 1.00 1.00 O ATOM 132 NE2 GLN A 8 -11.535 18.774 -4.594 1.00 1.00 N ATOM 0 H GLN A 8 -8.214 15.647 -2.887 1.00 1.00 H new ATOM 0 HA GLN A 8 -10.727 14.752 -2.067 1.00 1.00 H new ATOM 0 HB2 GLN A 8 -9.866 17.128 -2.416 1.00 1.00 H new ATOM 0 HB3 GLN A 8 -10.106 16.890 -4.136 1.00 1.00 H new ATOM 0 HG2 GLN A 8 -12.546 16.297 -3.556 1.00 1.00 H new ATOM 0 HG3 GLN A 8 -12.208 16.926 -1.956 1.00 1.00 H new ATOM 0 HE21 GLN A 8 -10.885 18.132 -5.048 1.00 1.00 H new ATOM 0 HE22 GLN A 8 -11.689 19.704 -4.984 1.00 1.00 H new ATOM 141 N LYS A 9 -10.051 14.399 -5.279 1.00 1.00 N ATOM 142 CA LYS A 9 -10.456 13.725 -6.501 1.00 1.00 C ATOM 143 C LYS A 9 -10.556 12.217 -6.251 1.00 1.00 C ATOM 144 O LYS A 9 -11.482 11.567 -6.723 1.00 1.00 O ATOM 145 CB LYS A 9 -9.472 14.031 -7.628 1.00 1.00 C ATOM 146 CG LYS A 9 -9.942 13.544 -8.986 1.00 1.00 C ATOM 147 CD LYS A 9 -8.975 13.947 -10.083 1.00 1.00 C ATOM 148 CE LYS A 9 -9.509 13.576 -11.457 1.00 1.00 C ATOM 149 NZ LYS A 9 -10.814 14.237 -11.750 1.00 1.00 N ATOM 0 H LYS A 9 -9.154 14.881 -5.341 1.00 1.00 H new ATOM 0 HA LYS A 9 -11.437 14.091 -6.805 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -9.306 15.107 -7.674 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -8.512 13.570 -7.397 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -10.045 12.459 -8.970 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -10.929 13.954 -9.200 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -8.798 15.022 -10.038 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -8.014 13.459 -9.920 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -8.781 13.860 -12.217 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -9.629 12.494 -11.519 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -11.009 14.183 -12.770 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -11.573 13.755 -11.227 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -10.771 15.234 -11.458 1.00 1.00 H new ATOM 163 N VAL A 10 -9.595 11.670 -5.505 1.00 1.00 N ATOM 164 CA VAL A 10 -9.622 10.249 -5.142 1.00 1.00 C ATOM 165 C VAL A 10 -10.876 9.951 -4.305 1.00 1.00 C ATOM 166 O VAL A 10 -11.591 8.982 -4.539 1.00 1.00 O ATOM 167 CB VAL A 10 -8.362 9.837 -4.335 1.00 1.00 C ATOM 168 CG1 VAL A 10 -8.425 8.372 -3.918 1.00 1.00 C ATOM 169 CG2 VAL A 10 -7.099 10.100 -5.140 1.00 1.00 C ATOM 0 H VAL A 10 -8.792 12.184 -5.141 1.00 1.00 H new ATOM 0 HA VAL A 10 -9.638 9.672 -6.067 1.00 1.00 H new ATOM 0 HB VAL A 10 -8.336 10.446 -3.431 1.00 1.00 H new ATOM 0 HG11 VAL A 10 -7.528 8.115 -3.355 1.00 1.00 H new ATOM 0 HG12 VAL A 10 -9.304 8.209 -3.295 1.00 1.00 H new ATOM 0 HG13 VAL A 10 -8.488 7.743 -4.806 1.00 1.00 H new ATOM 0 HG21 VAL A 10 -6.227 9.804 -4.556 1.00 1.00 H new ATOM 0 HG22 VAL A 10 -7.130 9.523 -6.064 1.00 1.00 H new ATOM 0 HG23 VAL A 10 -7.033 11.162 -5.378 1.00 1.00 H new ATOM 179 N ILE A 11 -11.157 10.837 -3.365 1.00 1.00 N ATOM 180 CA ILE A 11 -12.314 10.705 -2.487 1.00 1.00 C ATOM 181 C ILE A 11 -13.609 10.804 -3.297 1.00 1.00 C ATOM 182 O ILE A 11 -14.529 10.020 -3.109 1.00 1.00 O ATOM 183 CB ILE A 11 -12.245 11.798 -1.388 1.00 1.00 C ATOM 184 CG1 ILE A 11 -11.551 11.241 -0.144 1.00 1.00 C ATOM 185 CG2 ILE A 11 -13.603 12.394 -1.053 1.00 1.00 C ATOM 186 CD1 ILE A 11 -10.147 10.787 -0.455 1.00 1.00 C ATOM 0 H ILE A 11 -10.593 11.668 -3.187 1.00 1.00 H new ATOM 0 HA ILE A 11 -12.305 9.727 -2.006 1.00 1.00 H new ATOM 0 HB ILE A 11 -11.654 12.624 -1.785 1.00 1.00 H new ATOM 0 HG12 ILE A 11 -11.524 12.005 0.633 1.00 1.00 H new ATOM 0 HG13 ILE A 11 -12.127 10.404 0.252 1.00 1.00 H new ATOM 0 HG21 ILE A 11 -13.487 13.152 -0.278 1.00 1.00 H new ATOM 0 HG22 ILE A 11 -14.030 12.851 -1.946 1.00 1.00 H new ATOM 0 HG23 ILE A 11 -14.267 11.608 -0.695 1.00 1.00 H new ATOM 0 HD11 ILE A 11 -9.682 10.397 0.450 1.00 1.00 H new ATOM 0 HD12 ILE A 11 -10.177 10.005 -1.214 1.00 1.00 H new ATOM 0 HD13 ILE A 11 -9.566 11.631 -0.827 1.00 1.00 H new ATOM 198 N GLN A 12 -13.645 11.742 -4.241 1.00 1.00 N ATOM 199 CA GLN A 12 -14.820 11.923 -5.090 1.00 1.00 C ATOM 200 C GLN A 12 -14.966 10.791 -6.103 1.00 1.00 C ATOM 201 O GLN A 12 -16.022 10.619 -6.707 1.00 1.00 O ATOM 202 CB GLN A 12 -14.765 13.250 -5.829 1.00 1.00 C ATOM 203 CG GLN A 12 -14.968 14.455 -4.937 1.00 1.00 C ATOM 204 CD GLN A 12 -15.110 15.728 -5.742 1.00 1.00 C ATOM 205 OE1 GLN A 12 -16.202 16.118 -6.125 1.00 1.00 O ATOM 206 NE2 GLN A 12 -13.999 16.377 -6.021 1.00 1.00 N ATOM 0 H GLN A 12 -12.878 12.385 -4.437 1.00 1.00 H new ATOM 0 HA GLN A 12 -15.686 11.914 -4.428 1.00 1.00 H new ATOM 0 HB2 GLN A 12 -13.800 13.338 -6.328 1.00 1.00 H new ATOM 0 HB3 GLN A 12 -15.528 13.253 -6.608 1.00 1.00 H new ATOM 0 HG2 GLN A 12 -15.859 14.310 -4.326 1.00 1.00 H new ATOM 0 HG3 GLN A 12 -14.124 14.549 -4.254 1.00 1.00 H new ATOM 0 HE21 GLN A 12 -13.103 16.023 -5.685 1.00 1.00 H new ATOM 0 HE22 GLN A 12 -14.034 17.234 -6.573 1.00 1.00 H new ATOM 215 N GLU A 13 -13.899 10.044 -6.322 1.00 1.00 N ATOM 216 CA GLU A 13 -13.966 8.919 -7.234 1.00 1.00 C ATOM 217 C GLU A 13 -14.640 7.743 -6.535 1.00 1.00 C ATOM 218 O GLU A 13 -15.467 7.036 -7.111 1.00 1.00 O ATOM 219 CB GLU A 13 -12.566 8.525 -7.706 1.00 1.00 C ATOM 220 CG GLU A 13 -12.573 7.432 -8.758 1.00 1.00 C ATOM 221 CD GLU A 13 -13.444 7.786 -9.946 1.00 1.00 C ATOM 222 OE1 GLU A 13 -12.989 8.562 -10.809 1.00 1.00 O ATOM 223 OE2 GLU A 13 -14.593 7.284 -10.009 1.00 1.00 O ATOM 0 H GLU A 13 -12.988 10.193 -5.887 1.00 1.00 H new ATOM 0 HA GLU A 13 -14.550 9.203 -8.109 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -12.065 9.405 -8.110 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -11.982 8.191 -6.849 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -11.553 7.251 -9.098 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -12.930 6.503 -8.312 1.00 1.00 H new ATOM 230 N PHE A 14 -14.319 7.572 -5.269 1.00 1.00 N ATOM 231 CA PHE A 14 -14.881 6.483 -4.486 1.00 1.00 C ATOM 232 C PHE A 14 -16.119 6.939 -3.705 1.00 1.00 C ATOM 233 O PHE A 14 -17.254 6.622 -4.075 1.00 1.00 O ATOM 234 CB PHE A 14 -13.810 5.941 -3.540 1.00 1.00 C ATOM 235 CG PHE A 14 -12.671 5.287 -4.271 1.00 1.00 C ATOM 236 CD1 PHE A 14 -11.626 6.047 -4.777 1.00 1.00 C ATOM 237 CD2 PHE A 14 -12.647 3.916 -4.463 1.00 1.00 C ATOM 238 CE1 PHE A 14 -10.584 5.454 -5.461 1.00 1.00 C ATOM 239 CE2 PHE A 14 -11.607 3.317 -5.148 1.00 1.00 C ATOM 240 CZ PHE A 14 -10.573 4.087 -5.644 1.00 1.00 C ATOM 0 H PHE A 14 -13.672 8.172 -4.757 1.00 1.00 H new ATOM 0 HA PHE A 14 -15.202 5.690 -5.162 1.00 1.00 H new ATOM 0 HB2 PHE A 14 -13.424 6.757 -2.929 1.00 1.00 H new ATOM 0 HB3 PHE A 14 -14.263 5.219 -2.860 1.00 1.00 H new ATOM 0 HD1 PHE A 14 -11.628 7.117 -4.634 1.00 1.00 H new ATOM 0 HD2 PHE A 14 -13.450 3.308 -4.073 1.00 1.00 H new ATOM 0 HE1 PHE A 14 -9.779 6.059 -5.852 1.00 1.00 H new ATOM 0 HE2 PHE A 14 -11.603 2.247 -5.296 1.00 1.00 H new ATOM 0 HZ PHE A 14 -9.757 3.619 -6.175 1.00 1.00 H new ATOM 250 N ALA A 15 -15.882 7.714 -2.656 1.00 1.00 N ATOM 251 CA ALA A 15 -16.944 8.238 -1.801 1.00 1.00 C ATOM 252 C ALA A 15 -17.862 9.173 -2.581 1.00 1.00 C ATOM 253 O ALA A 15 -17.435 9.818 -3.533 1.00 1.00 O ATOM 254 CB ALA A 15 -16.323 8.996 -0.638 1.00 1.00 C ATOM 0 H ALA A 15 -14.945 7.999 -2.371 1.00 1.00 H new ATOM 0 HA ALA A 15 -17.537 7.401 -1.432 1.00 1.00 H new ATOM 0 HB1 ALA A 15 -17.112 9.389 0.003 1.00 1.00 H new ATOM 0 HB2 ALA A 15 -15.689 8.322 -0.062 1.00 1.00 H new ATOM 0 HB3 ALA A 15 -15.722 9.821 -1.021 1.00 1.00 H new ATOM 260 N ARG A 16 -19.122 9.265 -2.204 1.00 1.00 N ATOM 261 CA ARG A 16 -20.006 10.172 -2.935 1.00 1.00 C ATOM 262 C ARG A 16 -20.221 11.464 -2.152 1.00 1.00 C ATOM 263 O ARG A 16 -20.828 12.415 -2.642 1.00 1.00 O ATOM 264 CB ARG A 16 -21.363 9.541 -3.257 1.00 1.00 C ATOM 265 CG ARG A 16 -21.326 8.101 -3.761 1.00 1.00 C ATOM 266 CD ARG A 16 -20.201 7.821 -4.770 1.00 1.00 C ATOM 267 NE ARG A 16 -20.198 8.706 -5.946 1.00 1.00 N ATOM 268 CZ ARG A 16 -19.133 8.897 -6.701 1.00 1.00 C ATOM 269 NH1 ARG A 16 -18.012 8.329 -6.397 1.00 1.00 N ATOM 270 NH2 ARG A 16 -19.195 9.656 -7.753 1.00 1.00 N ATOM 0 H ARG A 16 -19.549 8.752 -1.433 1.00 1.00 H new ATOM 0 HA ARG A 16 -19.508 10.391 -3.880 1.00 1.00 H new ATOM 0 HB2 ARG A 16 -21.980 9.575 -2.359 1.00 1.00 H new ATOM 0 HB3 ARG A 16 -21.859 10.156 -4.008 1.00 1.00 H new ATOM 0 HG2 ARG A 16 -21.211 7.431 -2.909 1.00 1.00 H new ATOM 0 HG3 ARG A 16 -22.284 7.864 -4.225 1.00 1.00 H new ATOM 0 HD2 ARG A 16 -19.242 7.913 -4.260 1.00 1.00 H new ATOM 0 HD3 ARG A 16 -20.284 6.788 -5.109 1.00 1.00 H new ATOM 0 HE ARG A 16 -21.060 9.195 -6.189 1.00 1.00 H new ATOM 0 HH11 ARG A 16 -17.950 7.732 -5.572 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -17.190 8.478 -6.982 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -20.073 10.111 -8.002 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -18.366 9.797 -8.330 1.00 1.00 H new ATOM 284 N PHE A 17 -19.683 11.498 -0.944 1.00 1.00 N ATOM 285 CA PHE A 17 -19.826 12.636 -0.056 1.00 1.00 C ATOM 286 C PHE A 17 -18.560 12.792 0.784 1.00 1.00 C ATOM 287 O PHE A 17 -17.818 11.827 0.966 1.00 1.00 O ATOM 288 CB PHE A 17 -21.020 12.424 0.894 1.00 1.00 C ATOM 289 CG PHE A 17 -22.371 12.355 0.232 1.00 1.00 C ATOM 290 CD1 PHE A 17 -23.037 13.514 -0.131 1.00 1.00 C ATOM 291 CD2 PHE A 17 -22.978 11.132 -0.016 1.00 1.00 C ATOM 292 CE1 PHE A 17 -24.283 13.456 -0.728 1.00 1.00 C ATOM 293 CE2 PHE A 17 -24.224 11.068 -0.614 1.00 1.00 C ATOM 294 CZ PHE A 17 -24.876 12.232 -0.972 1.00 1.00 C ATOM 0 H PHE A 17 -19.133 10.734 -0.552 1.00 1.00 H new ATOM 0 HA PHE A 17 -19.992 13.528 -0.659 1.00 1.00 H new ATOM 0 HB2 PHE A 17 -20.860 11.500 1.450 1.00 1.00 H new ATOM 0 HB3 PHE A 17 -21.032 13.236 1.621 1.00 1.00 H new ATOM 0 HD1 PHE A 17 -22.578 14.474 0.054 1.00 1.00 H new ATOM 0 HD2 PHE A 17 -22.472 10.219 0.261 1.00 1.00 H new ATOM 0 HE1 PHE A 17 -24.793 14.367 -1.004 1.00 1.00 H new ATOM 0 HE2 PHE A 17 -24.686 10.110 -0.801 1.00 1.00 H new ATOM 0 HZ PHE A 17 -25.847 12.185 -1.442 1.00 1.00 H new ATOM 304 N PRO A 18 -18.280 13.993 1.318 1.00 1.00 N ATOM 305 CA PRO A 18 -17.108 14.200 2.180 1.00 1.00 C ATOM 306 C PRO A 18 -17.252 13.422 3.492 1.00 1.00 C ATOM 307 O PRO A 18 -16.292 13.217 4.224 1.00 1.00 O ATOM 308 CB PRO A 18 -17.086 15.710 2.429 1.00 1.00 C ATOM 309 CG PRO A 18 -18.000 16.293 1.401 1.00 1.00 C ATOM 310 CD PRO A 18 -19.031 15.238 1.111 1.00 1.00 C ATOM 0 HA PRO A 18 -16.184 13.844 1.724 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -17.426 15.947 3.437 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -16.077 16.110 2.330 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -18.469 17.205 1.770 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -17.451 16.560 0.498 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -19.887 15.312 1.782 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -19.416 15.315 0.094 1.00 1.00 H new ATOM 318 N GLY A 19 -18.482 13.016 3.790 1.00 1.00 N ATOM 319 CA GLY A 19 -18.736 12.211 4.966 1.00 1.00 C ATOM 320 C GLY A 19 -18.635 10.717 4.647 1.00 1.00 C ATOM 321 O GLY A 19 -18.325 9.905 5.512 1.00 1.00 O ATOM 0 H GLY A 19 -19.309 13.232 3.234 1.00 1.00 H new ATOM 0 HA2 GLY A 19 -18.021 12.468 5.747 1.00 1.00 H new ATOM 0 HA3 GLY A 19 -19.729 12.436 5.356 1.00 1.00 H new ATOM 325 N ASP A 20 -18.809 10.382 3.360 1.00 1.00 N ATOM 326 CA ASP A 20 -18.795 8.984 2.887 1.00 1.00 C ATOM 327 C ASP A 20 -17.353 8.485 2.705 1.00 1.00 C ATOM 328 O ASP A 20 -17.091 7.422 2.145 1.00 1.00 O ATOM 329 CB ASP A 20 -19.631 8.901 1.594 1.00 1.00 C ATOM 330 CG ASP A 20 -19.757 7.509 1.008 1.00 1.00 C ATOM 331 OD1 ASP A 20 -19.931 6.547 1.778 1.00 1.00 O ATOM 332 OD2 ASP A 20 -19.708 7.393 -0.237 1.00 1.00 O ATOM 0 H ASP A 20 -18.963 11.066 2.619 1.00 1.00 H new ATOM 0 HA ASP A 20 -19.245 8.323 3.627 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -20.630 9.286 1.798 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -19.184 9.556 0.846 1.00 1.00 H new ATOM 337 N THR A 21 -16.417 9.264 3.233 1.00 1.00 N ATOM 338 CA THR A 21 -15.009 8.913 3.192 1.00 1.00 C ATOM 339 C THR A 21 -14.681 8.139 4.462 1.00 1.00 C ATOM 340 O THR A 21 -13.595 7.588 4.623 1.00 1.00 O ATOM 341 CB THR A 21 -14.094 10.147 3.048 1.00 1.00 C ATOM 342 OG1 THR A 21 -12.735 9.741 2.843 1.00 1.00 O ATOM 343 CG2 THR A 21 -14.176 11.045 4.271 1.00 1.00 C ATOM 0 H THR A 21 -16.614 10.150 3.698 1.00 1.00 H new ATOM 0 HA THR A 21 -14.824 8.301 2.309 1.00 1.00 H new ATOM 0 HB THR A 21 -14.440 10.711 2.182 1.00 1.00 H new ATOM 0 HG1 THR A 21 -12.591 8.863 3.253 1.00 1.00 H new ATOM 0 HG21 THR A 21 -13.519 11.904 4.136 1.00 1.00 H new ATOM 0 HG22 THR A 21 -15.202 11.389 4.401 1.00 1.00 H new ATOM 0 HG23 THR A 21 -13.866 10.486 5.154 1.00 1.00 H new ATOM 351 N GLY A 22 -15.660 8.126 5.371 1.00 1.00 N ATOM 352 CA GLY A 22 -15.540 7.361 6.597 1.00 1.00 C ATOM 353 C GLY A 22 -15.817 5.902 6.304 1.00 1.00 C ATOM 354 O GLY A 22 -15.657 5.026 7.152 1.00 1.00 O ATOM 0 H GLY A 22 -16.537 8.637 5.274 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -14.540 7.477 7.015 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -16.242 7.734 7.342 1.00 1.00 H new ATOM 358 N SER A 23 -16.249 5.660 5.073 1.00 1.00 N ATOM 359 CA SER A 23 -16.541 4.325 4.599 1.00 1.00 C ATOM 360 C SER A 23 -15.235 3.558 4.379 1.00 1.00 C ATOM 361 O SER A 23 -14.262 4.088 3.835 1.00 1.00 O ATOM 362 CB SER A 23 -17.382 4.412 3.324 1.00 1.00 C ATOM 363 OG SER A 23 -18.543 5.198 3.567 1.00 1.00 O ATOM 0 H SER A 23 -16.405 6.390 4.378 1.00 1.00 H new ATOM 0 HA SER A 23 -17.120 3.777 5.343 1.00 1.00 H new ATOM 0 HB2 SER A 23 -16.794 4.853 2.519 1.00 1.00 H new ATOM 0 HB3 SER A 23 -17.670 3.413 2.998 1.00 1.00 H new ATOM 0 HG SER A 23 -18.679 5.820 2.822 1.00 1.00 H new ATOM 369 N THR A 24 -15.227 2.310 4.810 1.00 1.00 N ATOM 370 CA THR A 24 -14.042 1.449 4.743 1.00 1.00 C ATOM 371 C THR A 24 -13.474 1.315 3.323 1.00 1.00 C ATOM 372 O THR A 24 -12.257 1.283 3.132 1.00 1.00 O ATOM 373 CB THR A 24 -14.377 0.062 5.322 1.00 1.00 C ATOM 374 OG1 THR A 24 -15.076 0.223 6.565 1.00 1.00 O ATOM 375 CG2 THR A 24 -13.127 -0.761 5.564 1.00 1.00 C ATOM 0 H THR A 24 -16.043 1.855 5.220 1.00 1.00 H new ATOM 0 HA THR A 24 -13.264 1.925 5.340 1.00 1.00 H new ATOM 0 HB THR A 24 -14.997 -0.463 4.596 1.00 1.00 H new ATOM 0 HG1 THR A 24 -15.292 -0.658 6.935 1.00 1.00 H new ATOM 0 HG21 THR A 24 -13.405 -1.733 5.973 1.00 1.00 H new ATOM 0 HG22 THR A 24 -12.596 -0.902 4.623 1.00 1.00 H new ATOM 0 HG23 THR A 24 -12.480 -0.241 6.271 1.00 1.00 H new ATOM 383 N GLU A 25 -14.361 1.249 2.342 1.00 1.00 N ATOM 384 CA GLU A 25 -13.980 1.159 0.927 1.00 1.00 C ATOM 385 C GLU A 25 -13.051 2.312 0.552 1.00 1.00 C ATOM 386 O GLU A 25 -11.998 2.130 -0.061 1.00 1.00 O ATOM 387 CB GLU A 25 -15.228 1.273 0.038 1.00 1.00 C ATOM 388 CG GLU A 25 -16.334 0.267 0.327 1.00 1.00 C ATOM 389 CD GLU A 25 -17.281 0.711 1.431 1.00 1.00 C ATOM 390 OE1 GLU A 25 -16.862 0.728 2.608 1.00 1.00 O ATOM 391 OE2 GLU A 25 -18.438 1.042 1.114 1.00 1.00 O ATOM 0 H GLU A 25 -15.369 1.256 2.497 1.00 1.00 H new ATOM 0 HA GLU A 25 -13.481 0.201 0.777 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -15.638 2.277 0.144 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -14.923 1.162 -1.002 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -16.906 0.095 -0.585 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -15.884 -0.686 0.606 1.00 1.00 H new ATOM 398 N VAL A 26 -13.463 3.500 0.963 1.00 1.00 N ATOM 399 CA VAL A 26 -12.733 4.726 0.684 1.00 1.00 C ATOM 400 C VAL A 26 -11.419 4.778 1.460 1.00 1.00 C ATOM 401 O VAL A 26 -10.459 5.426 1.049 1.00 1.00 O ATOM 402 CB VAL A 26 -13.612 5.945 1.012 1.00 1.00 C ATOM 403 CG1 VAL A 26 -12.955 7.234 0.547 1.00 1.00 C ATOM 404 CG2 VAL A 26 -14.983 5.771 0.371 1.00 1.00 C ATOM 0 H VAL A 26 -14.317 3.642 1.502 1.00 1.00 H new ATOM 0 HA VAL A 26 -12.486 4.745 -0.377 1.00 1.00 H new ATOM 0 HB VAL A 26 -13.731 6.012 2.093 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -13.598 8.079 0.792 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -11.994 7.353 1.047 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -12.801 7.196 -0.531 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -15.606 6.635 0.604 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -14.871 5.685 -0.710 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -15.455 4.869 0.760 1.00 1.00 H new ATOM 414 N GLN A 27 -11.366 4.067 2.570 1.00 1.00 N ATOM 415 CA GLN A 27 -10.149 4.011 3.356 1.00 1.00 C ATOM 416 C GLN A 27 -9.130 3.107 2.645 1.00 1.00 C ATOM 417 O GLN A 27 -7.924 3.335 2.701 1.00 1.00 O ATOM 418 CB GLN A 27 -10.457 3.541 4.768 1.00 1.00 C ATOM 419 CG GLN A 27 -9.229 3.425 5.648 1.00 1.00 C ATOM 420 CD GLN A 27 -9.569 3.119 7.093 1.00 1.00 C ATOM 421 OE1 GLN A 27 -8.819 2.447 7.784 1.00 1.00 O ATOM 422 NE2 GLN A 27 -10.699 3.611 7.568 1.00 1.00 N ATOM 0 H GLN A 27 -12.144 3.525 2.945 1.00 1.00 H new ATOM 0 HA GLN A 27 -9.710 5.005 3.444 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -11.160 4.235 5.228 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -10.952 2.571 4.720 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -8.581 2.640 5.258 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -8.665 4.357 5.602 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -11.305 4.169 6.966 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -10.966 3.433 8.536 1.00 1.00 H new ATOM 431 N VAL A 28 -9.634 2.081 1.961 1.00 1.00 N ATOM 432 CA VAL A 28 -8.785 1.209 1.157 1.00 1.00 C ATOM 433 C VAL A 28 -8.303 2.010 -0.055 1.00 1.00 C ATOM 434 O VAL A 28 -7.224 1.776 -0.609 1.00 1.00 O ATOM 435 CB VAL A 28 -9.544 -0.054 0.705 1.00 1.00 C ATOM 436 CG1 VAL A 28 -8.694 -0.934 -0.201 1.00 1.00 C ATOM 437 CG2 VAL A 28 -10.014 -0.839 1.918 1.00 1.00 C ATOM 0 H VAL A 28 -10.624 1.835 1.949 1.00 1.00 H new ATOM 0 HA VAL A 28 -7.937 0.872 1.753 1.00 1.00 H new ATOM 0 HB VAL A 28 -10.409 0.267 0.125 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -9.267 -1.813 -0.496 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -8.408 -0.372 -1.090 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -7.798 -1.248 0.334 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -10.549 -1.730 1.590 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -9.152 -1.134 2.517 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -10.678 -0.217 2.519 1.00 1.00 H new ATOM 447 N ALA A 29 -9.121 2.977 -0.452 1.00 1.00 N ATOM 448 CA ALA A 29 -8.765 3.872 -1.534 1.00 1.00 C ATOM 449 C ALA A 29 -7.604 4.749 -1.082 1.00 1.00 C ATOM 450 O ALA A 29 -6.628 4.935 -1.807 1.00 1.00 O ATOM 451 CB ALA A 29 -9.949 4.729 -1.941 1.00 1.00 C ATOM 0 H ALA A 29 -10.035 3.158 -0.037 1.00 1.00 H new ATOM 0 HA ALA A 29 -8.469 3.286 -2.404 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -9.656 5.392 -2.755 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -10.766 4.088 -2.272 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -10.278 5.324 -1.089 1.00 1.00 H new ATOM 457 N LEU A 30 -7.693 5.259 0.144 1.00 1.00 N ATOM 458 CA LEU A 30 -6.616 6.080 0.674 1.00 1.00 C ATOM 459 C LEU A 30 -5.403 5.200 1.022 1.00 1.00 C ATOM 460 O LEU A 30 -4.260 5.645 0.934 1.00 1.00 O ATOM 461 CB LEU A 30 -7.094 6.969 1.849 1.00 1.00 C ATOM 462 CG LEU A 30 -7.403 6.300 3.206 1.00 1.00 C ATOM 463 CD1 LEU A 30 -6.137 6.050 4.022 1.00 1.00 C ATOM 464 CD2 LEU A 30 -8.369 7.176 4.001 1.00 1.00 C ATOM 0 H LEU A 30 -8.483 5.121 0.775 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.292 6.779 -0.097 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -6.331 7.728 2.021 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -7.995 7.490 1.524 1.00 1.00 H new ATOM 0 HG LEU A 30 -7.859 5.331 3.003 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -6.401 5.578 4.968 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -5.468 5.395 3.464 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -5.636 6.998 4.217 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -8.586 6.702 4.958 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -7.917 8.153 4.174 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -9.295 7.299 3.439 1.00 1.00 H new ATOM 476 N LEU A 31 -5.648 3.936 1.374 1.00 1.00 N ATOM 477 CA LEU A 31 -4.560 3.010 1.661 1.00 1.00 C ATOM 478 C LEU A 31 -3.807 2.735 0.343 1.00 1.00 C ATOM 479 O LEU A 31 -2.587 2.570 0.321 1.00 1.00 O ATOM 480 CB LEU A 31 -5.105 1.759 2.403 1.00 1.00 C ATOM 481 CG LEU A 31 -5.472 0.481 1.608 1.00 1.00 C ATOM 482 CD1 LEU A 31 -4.263 -0.223 1.015 1.00 1.00 C ATOM 483 CD2 LEU A 31 -6.209 -0.480 2.533 1.00 1.00 C ATOM 0 H LEU A 31 -6.582 3.537 1.466 1.00 1.00 H new ATOM 0 HA LEU A 31 -3.827 3.429 2.351 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -4.361 1.475 3.147 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -5.997 2.069 2.947 1.00 1.00 H new ATOM 0 HG LEU A 31 -6.100 0.789 0.772 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -4.589 -1.110 0.471 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -3.747 0.452 0.332 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -3.584 -0.517 1.816 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -6.472 -1.384 1.984 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -5.566 -0.741 3.374 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -7.116 -0.004 2.904 1.00 1.00 H new ATOM 495 N THR A 32 -4.552 2.749 -0.762 1.00 1.00 N ATOM 496 CA THR A 32 -3.963 2.601 -2.096 1.00 1.00 C ATOM 497 C THR A 32 -3.133 3.847 -2.418 1.00 1.00 C ATOM 498 O THR A 32 -2.044 3.748 -2.974 1.00 1.00 O ATOM 499 CB THR A 32 -5.047 2.407 -3.174 1.00 1.00 C ATOM 500 OG1 THR A 32 -5.732 1.165 -2.945 1.00 1.00 O ATOM 501 CG2 THR A 32 -4.450 2.421 -4.577 1.00 1.00 C ATOM 0 H THR A 32 -5.566 2.861 -0.761 1.00 1.00 H new ATOM 0 HA THR A 32 -3.330 1.714 -2.096 1.00 1.00 H new ATOM 0 HB THR A 32 -5.750 3.237 -3.104 1.00 1.00 H new ATOM 0 HG1 THR A 32 -6.282 1.239 -2.137 1.00 1.00 H new ATOM 0 HG21 THR A 32 -5.243 2.282 -5.311 1.00 1.00 H new ATOM 0 HG22 THR A 32 -3.957 3.377 -4.753 1.00 1.00 H new ATOM 0 HG23 THR A 32 -3.723 1.615 -4.671 1.00 1.00 H new ATOM 509 N LEU A 33 -3.655 5.025 -2.055 1.00 1.00 N ATOM 510 CA LEU A 33 -2.931 6.283 -2.255 1.00 1.00 C ATOM 511 C LEU A 33 -1.606 6.219 -1.487 1.00 1.00 C ATOM 512 O LEU A 33 -0.577 6.724 -1.940 1.00 1.00 O ATOM 513 CB LEU A 33 -3.785 7.471 -1.788 1.00 1.00 C ATOM 514 CG LEU A 33 -3.155 8.861 -1.951 1.00 1.00 C ATOM 515 CD1 LEU A 33 -2.893 9.177 -3.418 1.00 1.00 C ATOM 516 CD2 LEU A 33 -4.061 9.920 -1.336 1.00 1.00 C ATOM 0 H LEU A 33 -4.573 5.132 -1.623 1.00 1.00 H new ATOM 0 HA LEU A 33 -2.722 6.426 -3.315 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -4.726 7.454 -2.338 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -4.028 7.326 -0.735 1.00 1.00 H new ATOM 0 HG LEU A 33 -2.197 8.864 -1.430 1.00 1.00 H new ATOM 0 HD11 LEU A 33 -2.447 10.168 -3.503 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -2.211 8.435 -3.834 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -3.833 9.155 -3.969 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -3.606 10.903 -1.457 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -5.030 9.905 -1.836 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -4.197 9.711 -0.275 1.00 1.00 H new ATOM 528 N ARG A 34 -1.644 5.585 -0.312 1.00 1.00 N ATOM 529 CA ARG A 34 -0.440 5.380 0.486 1.00 1.00 C ATOM 530 C ARG A 34 0.527 4.464 -0.286 1.00 1.00 C ATOM 531 O ARG A 34 1.674 4.835 -0.524 1.00 1.00 O ATOM 532 CB ARG A 34 -0.784 4.771 1.852 1.00 1.00 C ATOM 533 CG ARG A 34 -1.651 5.678 2.714 1.00 1.00 C ATOM 534 CD ARG A 34 -2.053 5.019 4.033 1.00 1.00 C ATOM 535 NE ARG A 34 -0.908 4.715 4.904 1.00 1.00 N ATOM 536 CZ ARG A 34 -0.727 5.221 6.104 1.00 1.00 C ATOM 537 NH1 ARG A 34 -1.465 6.201 6.531 1.00 1.00 N ATOM 538 NH2 ARG A 34 0.224 4.760 6.859 1.00 1.00 N ATOM 0 H ARG A 34 -2.495 5.207 0.104 1.00 1.00 H new ATOM 0 HA ARG A 34 0.037 6.344 0.665 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -1.301 3.823 1.700 1.00 1.00 H new ATOM 0 HB3 ARG A 34 0.140 4.548 2.386 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -1.111 6.601 2.922 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -2.549 5.952 2.160 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -2.741 5.676 4.565 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -2.594 4.097 3.820 1.00 1.00 H new ATOM 0 HE ARG A 34 -0.204 4.066 4.552 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -2.196 6.587 5.933 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -1.314 6.584 7.464 1.00 1.00 H new ATOM 0 HH21 ARG A 34 0.826 4.009 6.520 1.00 1.00 H new ATOM 0 HH22 ARG A 34 0.369 5.149 7.791 1.00 1.00 H new ATOM 552 N ILE A 35 0.037 3.281 -0.704 1.00 1.00 N ATOM 553 CA ILE A 35 0.852 2.329 -1.488 1.00 1.00 C ATOM 554 C ILE A 35 1.460 3.032 -2.703 1.00 1.00 C ATOM 555 O ILE A 35 2.665 3.008 -2.924 1.00 1.00 O ATOM 556 CB ILE A 35 0.016 1.124 -2.026 1.00 1.00 C ATOM 557 CG1 ILE A 35 -0.617 0.315 -0.890 1.00 1.00 C ATOM 558 CG2 ILE A 35 0.881 0.210 -2.892 1.00 1.00 C ATOM 559 CD1 ILE A 35 -1.489 -0.834 -1.368 1.00 1.00 C ATOM 0 H ILE A 35 -0.913 2.962 -0.514 1.00 1.00 H new ATOM 0 HA ILE A 35 1.620 1.958 -0.810 1.00 1.00 H new ATOM 0 HB ILE A 35 -0.788 1.539 -2.633 1.00 1.00 H new ATOM 0 HG12 ILE A 35 0.174 -0.082 -0.254 1.00 1.00 H new ATOM 0 HG13 ILE A 35 -1.218 0.982 -0.272 1.00 1.00 H new ATOM 0 HG21 ILE A 35 0.279 -0.623 -3.256 1.00 1.00 H new ATOM 0 HG22 ILE A 35 1.271 0.774 -3.739 1.00 1.00 H new ATOM 0 HG23 ILE A 35 1.711 -0.174 -2.299 1.00 1.00 H new ATOM 0 HD11 ILE A 35 -1.902 -1.360 -0.507 1.00 1.00 H new ATOM 0 HD12 ILE A 35 -2.303 -0.443 -1.979 1.00 1.00 H new ATOM 0 HD13 ILE A 35 -0.889 -1.524 -1.961 1.00 1.00 H new ATOM 571 N ASN A 36 0.587 3.699 -3.443 1.00 1.00 N ATOM 572 CA ASN A 36 0.933 4.418 -4.666 1.00 1.00 C ATOM 573 C ASN A 36 2.027 5.482 -4.446 1.00 1.00 C ATOM 574 O ASN A 36 3.024 5.512 -5.159 1.00 1.00 O ATOM 575 CB ASN A 36 -0.359 5.052 -5.205 1.00 1.00 C ATOM 576 CG ASN A 36 -0.195 5.817 -6.500 1.00 1.00 C ATOM 577 OD1 ASN A 36 -0.228 5.247 -7.580 1.00 1.00 O ATOM 578 ND2 ASN A 36 -0.084 7.127 -6.402 1.00 1.00 N ATOM 0 H ASN A 36 -0.404 3.758 -3.207 1.00 1.00 H new ATOM 0 HA ASN A 36 1.355 3.718 -5.388 1.00 1.00 H new ATOM 0 HB2 ASN A 36 -1.099 4.265 -5.355 1.00 1.00 H new ATOM 0 HB3 ASN A 36 -0.760 5.727 -4.448 1.00 1.00 H new ATOM 0 HD21 ASN A 36 -0.023 7.698 -7.245 1.00 1.00 H new ATOM 0 HD22 ASN A 36 -0.060 7.569 -5.483 1.00 1.00 H new ATOM 585 N ARG A 37 1.876 6.320 -3.425 1.00 1.00 N ATOM 586 CA ARG A 37 2.866 7.375 -3.180 1.00 1.00 C ATOM 587 C ARG A 37 4.178 6.783 -2.662 1.00 1.00 C ATOM 588 O ARG A 37 5.263 7.196 -3.074 1.00 1.00 O ATOM 589 CB ARG A 37 2.318 8.421 -2.188 1.00 1.00 C ATOM 590 CG ARG A 37 3.328 9.507 -1.805 1.00 1.00 C ATOM 591 CD ARG A 37 2.691 10.664 -1.014 1.00 1.00 C ATOM 592 NE ARG A 37 2.048 10.245 0.248 1.00 1.00 N ATOM 593 CZ ARG A 37 2.301 10.765 1.439 1.00 1.00 C ATOM 594 NH1 ARG A 37 3.276 11.608 1.611 1.00 1.00 N ATOM 595 NH2 ARG A 37 1.581 10.414 2.465 1.00 1.00 N ATOM 0 H ARG A 37 1.099 6.296 -2.765 1.00 1.00 H new ATOM 0 HA ARG A 37 3.067 7.873 -4.129 1.00 1.00 H new ATOM 0 HB2 ARG A 37 1.439 8.895 -2.625 1.00 1.00 H new ATOM 0 HB3 ARG A 37 1.989 7.910 -1.283 1.00 1.00 H new ATOM 0 HG2 ARG A 37 4.125 9.062 -1.209 1.00 1.00 H new ATOM 0 HG3 ARG A 37 3.789 9.903 -2.710 1.00 1.00 H new ATOM 0 HD2 ARG A 37 3.459 11.404 -0.790 1.00 1.00 H new ATOM 0 HD3 ARG A 37 1.948 11.155 -1.643 1.00 1.00 H new ATOM 0 HE ARG A 37 1.356 9.498 0.198 1.00 1.00 H new ATOM 0 HH11 ARG A 37 3.861 11.879 0.821 1.00 1.00 H new ATOM 0 HH12 ARG A 37 3.456 11.998 2.536 1.00 1.00 H new ATOM 0 HH21 ARG A 37 0.824 9.740 2.350 1.00 1.00 H new ATOM 0 HH22 ARG A 37 1.774 10.813 3.384 1.00 1.00 H new ATOM 609 N LEU A 38 4.070 5.784 -1.795 1.00 1.00 N ATOM 610 CA LEU A 38 5.239 5.151 -1.210 1.00 1.00 C ATOM 611 C LEU A 38 5.996 4.345 -2.260 1.00 1.00 C ATOM 612 O LEU A 38 7.221 4.266 -2.240 1.00 1.00 O ATOM 613 CB LEU A 38 4.810 4.284 -0.031 1.00 1.00 C ATOM 614 CG LEU A 38 4.169 5.061 1.129 1.00 1.00 C ATOM 615 CD1 LEU A 38 3.724 4.118 2.237 1.00 1.00 C ATOM 616 CD2 LEU A 38 5.132 6.104 1.677 1.00 1.00 C ATOM 0 H LEU A 38 3.180 5.396 -1.482 1.00 1.00 H new ATOM 0 HA LEU A 38 5.922 5.917 -0.842 1.00 1.00 H new ATOM 0 HB2 LEU A 38 4.102 3.535 -0.385 1.00 1.00 H new ATOM 0 HB3 LEU A 38 5.681 3.747 0.345 1.00 1.00 H new ATOM 0 HG LEU A 38 3.288 5.573 0.741 1.00 1.00 H new ATOM 0 HD11 LEU A 38 3.274 4.694 3.046 1.00 1.00 H new ATOM 0 HD12 LEU A 38 2.992 3.413 1.843 1.00 1.00 H new ATOM 0 HD13 LEU A 38 4.587 3.571 2.618 1.00 1.00 H new ATOM 0 HD21 LEU A 38 4.657 6.642 2.497 1.00 1.00 H new ATOM 0 HD22 LEU A 38 6.034 5.611 2.040 1.00 1.00 H new ATOM 0 HD23 LEU A 38 5.396 6.807 0.887 1.00 1.00 H new ATOM 628 N SER A 39 5.249 3.769 -3.183 1.00 1.00 N ATOM 629 CA SER A 39 5.826 3.016 -4.282 1.00 1.00 C ATOM 630 C SER A 39 6.706 3.917 -5.150 1.00 1.00 C ATOM 631 O SER A 39 7.888 3.646 -5.341 1.00 1.00 O ATOM 632 CB SER A 39 4.708 2.420 -5.138 1.00 1.00 C ATOM 633 OG SER A 39 5.221 1.801 -6.310 1.00 1.00 O ATOM 0 H SER A 39 4.230 3.809 -3.193 1.00 1.00 H new ATOM 0 HA SER A 39 6.442 2.217 -3.870 1.00 1.00 H new ATOM 0 HB2 SER A 39 4.152 1.688 -4.553 1.00 1.00 H new ATOM 0 HB3 SER A 39 4.005 3.205 -5.418 1.00 1.00 H new ATOM 0 HG SER A 39 4.963 2.326 -7.097 1.00 1.00 H new ATOM 639 N GLU A 40 6.155 5.040 -5.617 1.00 1.00 N ATOM 640 CA GLU A 40 6.929 5.932 -6.486 1.00 1.00 C ATOM 641 C GLU A 40 7.973 6.729 -5.691 1.00 1.00 C ATOM 642 O GLU A 40 8.856 7.377 -6.255 1.00 1.00 O ATOM 643 CB GLU A 40 6.018 6.823 -7.333 1.00 1.00 C ATOM 644 CG GLU A 40 5.492 6.105 -8.580 1.00 1.00 C ATOM 645 CD GLU A 40 4.532 4.956 -8.286 1.00 1.00 C ATOM 646 OE1 GLU A 40 5.013 3.823 -8.026 1.00 1.00 O ATOM 647 OE2 GLU A 40 3.309 5.176 -8.350 1.00 1.00 O ATOM 0 H GLU A 40 5.204 5.348 -5.416 1.00 1.00 H new ATOM 0 HA GLU A 40 7.487 5.311 -7.187 1.00 1.00 H new ATOM 0 HB2 GLU A 40 5.176 7.157 -6.727 1.00 1.00 H new ATOM 0 HB3 GLU A 40 6.566 7.715 -7.635 1.00 1.00 H new ATOM 0 HG2 GLU A 40 4.987 6.831 -9.217 1.00 1.00 H new ATOM 0 HG3 GLU A 40 6.339 5.719 -9.147 1.00 1.00 H new ATOM 654 N HIS A 41 7.863 6.665 -4.373 1.00 1.00 N ATOM 655 CA HIS A 41 8.831 7.273 -3.480 1.00 1.00 C ATOM 656 C HIS A 41 10.083 6.395 -3.490 1.00 1.00 C ATOM 657 O HIS A 41 11.205 6.866 -3.680 1.00 1.00 O ATOM 658 CB HIS A 41 8.233 7.324 -2.074 1.00 1.00 C ATOM 659 CG HIS A 41 9.107 7.932 -1.025 1.00 1.00 C ATOM 660 ND1 HIS A 41 9.071 9.262 -0.679 1.00 1.00 N ATOM 661 CD2 HIS A 41 10.021 7.357 -0.200 1.00 1.00 C ATOM 662 CE1 HIS A 41 9.938 9.451 0.321 1.00 1.00 C ATOM 663 NE2 HIS A 41 10.538 8.326 0.646 1.00 1.00 N ATOM 0 H HIS A 41 7.098 6.189 -3.894 1.00 1.00 H new ATOM 0 HA HIS A 41 9.084 8.286 -3.794 1.00 1.00 H new ATOM 0 HB2 HIS A 41 7.300 7.886 -2.115 1.00 1.00 H new ATOM 0 HB3 HIS A 41 7.981 6.309 -1.768 1.00 1.00 H new ATOM 0 HD1 HIS A 41 8.486 9.978 -1.109 1.00 1.00 H new ATOM 0 HD2 HIS A 41 10.300 6.314 -0.203 1.00 1.00 H new ATOM 0 HE1 HIS A 41 10.122 10.402 0.799 1.00 1.00 H new ATOM 671 N LEU A 42 9.845 5.096 -3.332 1.00 1.00 N ATOM 672 CA LEU A 42 10.910 4.100 -3.311 1.00 1.00 C ATOM 673 C LEU A 42 11.387 3.718 -4.724 1.00 1.00 C ATOM 674 O LEU A 42 12.286 2.905 -4.873 1.00 1.00 O ATOM 675 CB LEU A 42 10.443 2.860 -2.558 1.00 1.00 C ATOM 676 CG LEU A 42 10.080 3.091 -1.088 1.00 1.00 C ATOM 677 CD1 LEU A 42 9.556 1.807 -0.476 1.00 1.00 C ATOM 678 CD2 LEU A 42 11.278 3.601 -0.297 1.00 1.00 C ATOM 0 H LEU A 42 8.910 4.705 -3.215 1.00 1.00 H new ATOM 0 HA LEU A 42 11.762 4.544 -2.797 1.00 1.00 H new ATOM 0 HB2 LEU A 42 9.573 2.449 -3.071 1.00 1.00 H new ATOM 0 HB3 LEU A 42 11.229 2.106 -2.608 1.00 1.00 H new ATOM 0 HG LEU A 42 9.302 3.853 -1.046 1.00 1.00 H new ATOM 0 HD11 LEU A 42 9.300 1.980 0.569 1.00 1.00 H new ATOM 0 HD12 LEU A 42 8.668 1.482 -1.018 1.00 1.00 H new ATOM 0 HD13 LEU A 42 10.323 1.035 -0.539 1.00 1.00 H new ATOM 0 HD21 LEU A 42 10.989 3.755 0.742 1.00 1.00 H new ATOM 0 HD22 LEU A 42 12.084 2.869 -0.344 1.00 1.00 H new ATOM 0 HD23 LEU A 42 11.620 4.545 -0.722 1.00 1.00 H new ATOM 690 N LYS A 43 10.751 4.253 -5.768 1.00 1.00 N ATOM 691 CA LYS A 43 11.246 3.997 -7.129 1.00 1.00 C ATOM 692 C LYS A 43 12.341 5.010 -7.442 1.00 1.00 C ATOM 693 O LYS A 43 13.003 4.958 -8.476 1.00 1.00 O ATOM 694 CB LYS A 43 10.150 4.073 -8.187 1.00 1.00 C ATOM 695 CG LYS A 43 9.175 2.916 -8.112 1.00 1.00 C ATOM 696 CD LYS A 43 8.191 2.945 -9.267 1.00 1.00 C ATOM 697 CE LYS A 43 7.194 1.800 -9.185 1.00 1.00 C ATOM 698 NZ LYS A 43 7.862 0.466 -9.206 1.00 1.00 N ATOM 0 H LYS A 43 9.923 4.845 -5.708 1.00 1.00 H new ATOM 0 HA LYS A 43 11.632 2.978 -7.159 1.00 1.00 H new ATOM 0 HB2 LYS A 43 9.604 5.009 -8.070 1.00 1.00 H new ATOM 0 HB3 LYS A 43 10.608 4.092 -9.176 1.00 1.00 H new ATOM 0 HG2 LYS A 43 9.724 1.974 -8.123 1.00 1.00 H new ATOM 0 HG3 LYS A 43 8.632 2.957 -7.168 1.00 1.00 H new ATOM 0 HD2 LYS A 43 7.656 3.895 -9.265 1.00 1.00 H new ATOM 0 HD3 LYS A 43 8.735 2.887 -10.210 1.00 1.00 H new ATOM 0 HE2 LYS A 43 6.608 1.896 -8.271 1.00 1.00 H new ATOM 0 HE3 LYS A 43 6.496 1.868 -10.020 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 7.147 -0.278 -9.336 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 8.544 0.432 -9.990 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 8.361 0.313 -8.306 1.00 1.00 H new ATOM 712 N VAL A 44 12.502 5.939 -6.517 1.00 1.00 N ATOM 713 CA VAL A 44 13.513 6.971 -6.605 1.00 1.00 C ATOM 714 C VAL A 44 14.527 6.719 -5.502 1.00 1.00 C ATOM 715 O VAL A 44 15.730 6.604 -5.730 1.00 1.00 O ATOM 716 CB VAL A 44 12.893 8.373 -6.429 1.00 1.00 C ATOM 717 CG1 VAL A 44 13.964 9.447 -6.467 1.00 1.00 C ATOM 718 CG2 VAL A 44 11.838 8.629 -7.494 1.00 1.00 C ATOM 0 H VAL A 44 11.928 5.997 -5.676 1.00 1.00 H new ATOM 0 HA VAL A 44 13.985 6.939 -7.587 1.00 1.00 H new ATOM 0 HB VAL A 44 12.411 8.411 -5.452 1.00 1.00 H new ATOM 0 HG11 VAL A 44 13.502 10.426 -6.341 1.00 1.00 H new ATOM 0 HG12 VAL A 44 14.679 9.277 -5.662 1.00 1.00 H new ATOM 0 HG13 VAL A 44 14.482 9.411 -7.426 1.00 1.00 H new ATOM 0 HG21 VAL A 44 11.412 9.623 -7.353 1.00 1.00 H new ATOM 0 HG22 VAL A 44 12.295 8.567 -8.481 1.00 1.00 H new ATOM 0 HG23 VAL A 44 11.049 7.881 -7.412 1.00 1.00 H new ATOM 728 N HIS A 45 13.998 6.602 -4.297 1.00 1.00 N ATOM 729 CA HIS A 45 14.793 6.320 -3.122 1.00 1.00 C ATOM 730 C HIS A 45 15.261 4.863 -3.138 1.00 1.00 C ATOM 731 O HIS A 45 14.560 3.992 -3.635 1.00 1.00 O ATOM 732 CB HIS A 45 13.943 6.576 -1.876 1.00 1.00 C ATOM 733 CG HIS A 45 13.797 8.025 -1.538 1.00 1.00 C ATOM 734 ND1 HIS A 45 12.838 8.846 -2.084 1.00 1.00 N ATOM 735 CD2 HIS A 45 14.514 8.802 -0.687 1.00 1.00 C ATOM 736 CE1 HIS A 45 12.997 10.070 -1.561 1.00 1.00 C ATOM 737 NE2 HIS A 45 14.000 10.094 -0.709 1.00 1.00 N ATOM 0 H HIS A 45 13.000 6.701 -4.108 1.00 1.00 H new ATOM 0 HA HIS A 45 15.670 6.967 -3.113 1.00 1.00 H new ATOM 0 HB2 HIS A 45 12.953 6.145 -2.027 1.00 1.00 H new ATOM 0 HB3 HIS A 45 14.391 6.057 -1.028 1.00 1.00 H new ATOM 0 HD1 HIS A 45 12.131 8.572 -2.766 1.00 1.00 H new ATOM 0 HD2 HIS A 45 15.350 8.470 -0.089 1.00 1.00 H new ATOM 0 HE1 HIS A 45 12.383 10.924 -1.806 1.00 1.00 H new ATOM 745 N LYS A 46 16.447 4.601 -2.606 1.00 1.00 N ATOM 746 CA LYS A 46 16.955 3.228 -2.552 1.00 1.00 C ATOM 747 C LYS A 46 16.032 2.405 -1.660 1.00 1.00 C ATOM 748 O LYS A 46 15.453 1.402 -2.067 1.00 1.00 O ATOM 749 CB LYS A 46 18.376 3.198 -1.983 1.00 1.00 C ATOM 750 CG LYS A 46 19.390 3.970 -2.810 1.00 1.00 C ATOM 751 CD LYS A 46 20.778 3.885 -2.194 1.00 1.00 C ATOM 752 CE LYS A 46 21.813 4.640 -3.015 1.00 1.00 C ATOM 753 NZ LYS A 46 21.492 6.092 -3.137 1.00 1.00 N ATOM 0 H LYS A 46 17.070 5.305 -2.210 1.00 1.00 H new ATOM 0 HA LYS A 46 16.981 2.814 -3.560 1.00 1.00 H new ATOM 0 HB2 LYS A 46 18.360 3.606 -0.973 1.00 1.00 H new ATOM 0 HB3 LYS A 46 18.702 2.161 -1.903 1.00 1.00 H new ATOM 0 HG2 LYS A 46 19.414 3.573 -3.825 1.00 1.00 H new ATOM 0 HG3 LYS A 46 19.085 5.014 -2.884 1.00 1.00 H new ATOM 0 HD2 LYS A 46 20.751 4.291 -1.183 1.00 1.00 H new ATOM 0 HD3 LYS A 46 21.074 2.839 -2.110 1.00 1.00 H new ATOM 0 HE2 LYS A 46 22.794 4.525 -2.553 1.00 1.00 H new ATOM 0 HE3 LYS A 46 21.875 4.199 -4.010 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 22.302 6.593 -3.555 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 20.658 6.213 -3.747 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 21.291 6.484 -2.195 1.00 1.00 H new ATOM 767 N LYS A 47 15.918 2.863 -0.428 1.00 1.00 N ATOM 768 CA LYS A 47 15.046 2.257 0.558 1.00 1.00 C ATOM 769 C LYS A 47 14.927 3.177 1.770 1.00 1.00 C ATOM 770 O LYS A 47 15.459 2.901 2.845 1.00 1.00 O ATOM 771 CB LYS A 47 15.493 0.837 0.951 1.00 1.00 C ATOM 772 CG LYS A 47 16.951 0.691 1.360 1.00 1.00 C ATOM 773 CD LYS A 47 17.259 -0.755 1.718 1.00 1.00 C ATOM 774 CE LYS A 47 18.728 -0.956 2.038 1.00 1.00 C ATOM 775 NZ LYS A 47 19.026 -2.382 2.349 1.00 1.00 N ATOM 0 H LYS A 47 16.432 3.673 -0.081 1.00 1.00 H new ATOM 0 HA LYS A 47 14.059 2.137 0.111 1.00 1.00 H new ATOM 0 HB2 LYS A 47 14.868 0.495 1.776 1.00 1.00 H new ATOM 0 HB3 LYS A 47 15.303 0.171 0.110 1.00 1.00 H new ATOM 0 HG2 LYS A 47 17.598 1.016 0.545 1.00 1.00 H new ATOM 0 HG3 LYS A 47 17.163 1.336 2.213 1.00 1.00 H new ATOM 0 HD2 LYS A 47 16.656 -1.053 2.576 1.00 1.00 H new ATOM 0 HD3 LYS A 47 16.976 -1.403 0.889 1.00 1.00 H new ATOM 0 HE2 LYS A 47 19.334 -0.632 1.192 1.00 1.00 H new ATOM 0 HE3 LYS A 47 19.006 -0.331 2.887 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 20.038 -2.486 2.563 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 18.465 -2.682 3.172 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 18.783 -2.974 1.529 1.00 1.00 H new ATOM 789 N ASP A 48 14.253 4.310 1.554 1.00 1.00 N ATOM 790 CA ASP A 48 14.029 5.295 2.612 1.00 1.00 C ATOM 791 C ASP A 48 13.115 4.683 3.667 1.00 1.00 C ATOM 792 O ASP A 48 13.522 4.424 4.797 1.00 1.00 O ATOM 793 CB ASP A 48 13.406 6.565 2.028 1.00 1.00 C ATOM 794 CG ASP A 48 13.197 7.628 3.082 1.00 1.00 C ATOM 795 OD1 ASP A 48 14.181 8.295 3.450 1.00 1.00 O ATOM 796 OD2 ASP A 48 12.046 7.781 3.544 1.00 1.00 O ATOM 0 H ASP A 48 13.852 4.567 0.652 1.00 1.00 H new ATOM 0 HA ASP A 48 14.979 5.568 3.071 1.00 1.00 H new ATOM 0 HB2 ASP A 48 14.051 6.956 1.241 1.00 1.00 H new ATOM 0 HB3 ASP A 48 12.450 6.320 1.565 1.00 1.00 H new ATOM 801 N HIS A 49 11.879 4.428 3.282 1.00 1.00 N ATOM 802 CA HIS A 49 10.944 3.781 4.178 1.00 1.00 C ATOM 803 C HIS A 49 10.900 2.295 3.849 1.00 1.00 C ATOM 804 O HIS A 49 10.147 1.849 2.986 1.00 1.00 O ATOM 805 CB HIS A 49 9.556 4.402 4.084 1.00 1.00 C ATOM 806 CG HIS A 49 9.364 5.554 5.021 1.00 1.00 C ATOM 807 ND1 HIS A 49 9.857 6.824 4.810 1.00 1.00 N ATOM 808 CD2 HIS A 49 8.702 5.604 6.204 1.00 1.00 C ATOM 809 CE1 HIS A 49 9.483 7.587 5.841 1.00 1.00 C ATOM 810 NE2 HIS A 49 8.778 6.893 6.717 1.00 1.00 N ATOM 0 H HIS A 49 11.503 4.657 2.362 1.00 1.00 H new ATOM 0 HA HIS A 49 11.281 3.920 5.205 1.00 1.00 H new ATOM 0 HB2 HIS A 49 9.384 4.740 3.062 1.00 1.00 H new ATOM 0 HB3 HIS A 49 8.808 3.639 4.298 1.00 1.00 H new ATOM 0 HD1 HIS A 49 10.410 7.128 4.008 1.00 1.00 H new ATOM 0 HD2 HIS A 49 8.196 4.773 6.673 1.00 1.00 H new ATOM 0 HE1 HIS A 49 9.725 8.634 5.945 1.00 1.00 H new ATOM 818 N HIS A 50 11.738 1.530 4.528 1.00 1.00 N ATOM 819 CA HIS A 50 11.818 0.095 4.286 1.00 1.00 C ATOM 820 C HIS A 50 11.150 -0.688 5.408 1.00 1.00 C ATOM 821 O HIS A 50 11.408 -1.869 5.625 1.00 1.00 O ATOM 822 CB HIS A 50 13.270 -0.341 4.067 1.00 1.00 C ATOM 823 CG HIS A 50 14.226 0.044 5.162 1.00 1.00 C ATOM 824 ND1 HIS A 50 15.066 1.138 5.103 1.00 1.00 N ATOM 825 CD2 HIS A 50 14.486 -0.562 6.348 1.00 1.00 C ATOM 826 CE1 HIS A 50 15.793 1.158 6.228 1.00 1.00 C ATOM 827 NE2 HIS A 50 15.479 0.149 7.014 1.00 1.00 N ATOM 0 H HIS A 50 12.372 1.875 5.249 1.00 1.00 H new ATOM 0 HA HIS A 50 11.271 -0.129 3.370 1.00 1.00 H new ATOM 0 HB2 HIS A 50 13.294 -1.424 3.950 1.00 1.00 H new ATOM 0 HB3 HIS A 50 13.624 0.088 3.130 1.00 1.00 H new ATOM 0 HD1 HIS A 50 15.123 1.811 4.339 1.00 1.00 H new ATOM 0 HD2 HIS A 50 14.000 -1.453 6.716 1.00 1.00 H new ATOM 0 HE1 HIS A 50 16.539 1.904 6.460 1.00 1.00 H new ATOM 835 N SER A 51 10.262 0.001 6.098 1.00 1.00 N ATOM 836 CA SER A 51 9.485 -0.571 7.188 1.00 1.00 C ATOM 837 C SER A 51 8.308 -1.402 6.638 1.00 1.00 C ATOM 838 O SER A 51 7.347 -1.682 7.351 1.00 1.00 O ATOM 839 CB SER A 51 8.962 0.576 8.050 1.00 1.00 C ATOM 840 OG SER A 51 9.997 1.497 8.366 1.00 1.00 O ATOM 0 H SER A 51 10.055 0.984 5.918 1.00 1.00 H new ATOM 0 HA SER A 51 10.113 -1.235 7.782 1.00 1.00 H new ATOM 0 HB2 SER A 51 8.160 1.093 7.523 1.00 1.00 H new ATOM 0 HB3 SER A 51 8.534 0.177 8.970 1.00 1.00 H new ATOM 0 HG SER A 51 9.633 2.221 8.917 1.00 1.00 H new ATOM 846 N HIS A 52 8.410 -1.756 5.347 1.00 1.00 N ATOM 847 CA HIS A 52 7.396 -2.536 4.604 1.00 1.00 C ATOM 848 C HIS A 52 6.132 -1.716 4.337 1.00 1.00 C ATOM 849 O HIS A 52 5.141 -2.215 3.796 1.00 1.00 O ATOM 850 CB HIS A 52 7.055 -3.865 5.286 1.00 1.00 C ATOM 851 CG HIS A 52 8.229 -4.786 5.418 1.00 1.00 C ATOM 852 ND1 HIS A 52 8.593 -5.395 6.593 1.00 1.00 N ATOM 853 CD2 HIS A 52 9.129 -5.201 4.487 1.00 1.00 C ATOM 854 CE1 HIS A 52 9.677 -6.142 6.354 1.00 1.00 C ATOM 855 NE2 HIS A 52 10.042 -6.059 5.090 1.00 1.00 N ATOM 0 H HIS A 52 9.216 -1.504 4.774 1.00 1.00 H new ATOM 0 HA HIS A 52 7.848 -2.780 3.642 1.00 1.00 H new ATOM 0 HB2 HIS A 52 6.649 -3.662 6.277 1.00 1.00 H new ATOM 0 HB3 HIS A 52 6.272 -4.366 4.717 1.00 1.00 H new ATOM 0 HD2 HIS A 52 9.134 -4.911 3.447 1.00 1.00 H new ATOM 0 HE1 HIS A 52 10.186 -6.735 7.099 1.00 1.00 H new ATOM 0 HE2 HIS A 52 10.832 -6.528 4.646 1.00 1.00 H new ATOM 863 N ARG A 53 6.195 -0.440 4.683 1.00 1.00 N ATOM 864 CA ARG A 53 5.086 0.478 4.470 1.00 1.00 C ATOM 865 C ARG A 53 4.983 0.816 2.990 1.00 1.00 C ATOM 866 O ARG A 53 5.785 1.578 2.459 1.00 1.00 O ATOM 867 CB ARG A 53 5.289 1.752 5.288 1.00 1.00 C ATOM 868 CG ARG A 53 5.451 1.490 6.777 1.00 1.00 C ATOM 869 CD ARG A 53 5.789 2.762 7.555 1.00 1.00 C ATOM 870 NE ARG A 53 6.151 2.459 8.946 1.00 1.00 N ATOM 871 CZ ARG A 53 6.923 3.203 9.704 1.00 1.00 C ATOM 872 NH1 ARG A 53 7.310 4.381 9.316 1.00 1.00 N ATOM 873 NH2 ARG A 53 7.277 2.766 10.877 1.00 1.00 N ATOM 0 H ARG A 53 7.013 -0.012 5.118 1.00 1.00 H new ATOM 0 HA ARG A 53 4.161 0.002 4.795 1.00 1.00 H new ATOM 0 HB2 ARG A 53 6.171 2.275 4.920 1.00 1.00 H new ATOM 0 HB3 ARG A 53 4.438 2.415 5.133 1.00 1.00 H new ATOM 0 HG2 ARG A 53 4.530 1.060 7.171 1.00 1.00 H new ATOM 0 HG3 ARG A 53 6.239 0.752 6.931 1.00 1.00 H new ATOM 0 HD2 ARG A 53 6.615 3.280 7.067 1.00 1.00 H new ATOM 0 HD3 ARG A 53 4.934 3.438 7.539 1.00 1.00 H new ATOM 0 HE ARG A 53 5.773 1.604 9.355 1.00 1.00 H new ATOM 0 HH11 ARG A 53 7.014 4.742 8.409 1.00 1.00 H new ATOM 0 HH12 ARG A 53 7.910 4.945 9.918 1.00 1.00 H new ATOM 0 HH21 ARG A 53 6.955 1.854 11.200 1.00 1.00 H new ATOM 0 HH22 ARG A 53 7.876 3.336 11.474 1.00 1.00 H new ATOM 887 N GLY A 54 4.016 0.211 2.329 1.00 1.00 N ATOM 888 CA GLY A 54 3.837 0.436 0.908 1.00 1.00 C ATOM 889 C GLY A 54 4.391 -0.716 0.108 1.00 1.00 C ATOM 890 O GLY A 54 4.197 -0.815 -1.099 1.00 1.00 O ATOM 0 H GLY A 54 3.347 -0.435 2.748 1.00 1.00 H new ATOM 0 HA2 GLY A 54 2.777 0.562 0.686 1.00 1.00 H new ATOM 0 HA3 GLY A 54 4.336 1.360 0.616 1.00 1.00 H new ATOM 894 N LEU A 55 5.081 -1.603 0.805 1.00 1.00 N ATOM 895 CA LEU A 55 5.662 -2.771 0.181 1.00 1.00 C ATOM 896 C LEU A 55 4.638 -3.918 0.169 1.00 1.00 C ATOM 897 O LEU A 55 3.456 -3.719 0.472 1.00 1.00 O ATOM 898 CB LEU A 55 6.952 -3.202 0.915 1.00 1.00 C ATOM 899 CG LEU A 55 8.204 -2.316 0.702 1.00 1.00 C ATOM 900 CD1 LEU A 55 8.040 -0.932 1.324 1.00 1.00 C ATOM 901 CD2 LEU A 55 9.442 -2.996 1.278 1.00 1.00 C ATOM 0 H LEU A 55 5.251 -1.532 1.808 1.00 1.00 H new ATOM 0 HA LEU A 55 5.928 -2.523 -0.846 1.00 1.00 H new ATOM 0 HB2 LEU A 55 6.739 -3.239 1.983 1.00 1.00 H new ATOM 0 HB3 LEU A 55 7.197 -4.217 0.604 1.00 1.00 H new ATOM 0 HG LEU A 55 8.326 -2.186 -0.373 1.00 1.00 H new ATOM 0 HD11 LEU A 55 8.942 -0.346 1.150 1.00 1.00 H new ATOM 0 HD12 LEU A 55 7.187 -0.428 0.870 1.00 1.00 H new ATOM 0 HD13 LEU A 55 7.874 -1.032 2.397 1.00 1.00 H new ATOM 0 HD21 LEU A 55 10.313 -2.360 1.120 1.00 1.00 H new ATOM 0 HD22 LEU A 55 9.302 -3.161 2.346 1.00 1.00 H new ATOM 0 HD23 LEU A 55 9.596 -3.953 0.780 1.00 1.00 H new ATOM 913 N LEU A 56 5.119 -5.114 -0.149 1.00 1.00 N ATOM 914 CA LEU A 56 4.293 -6.332 -0.235 1.00 1.00 C ATOM 915 C LEU A 56 3.297 -6.465 0.928 1.00 1.00 C ATOM 916 O LEU A 56 2.156 -6.884 0.740 1.00 1.00 O ATOM 917 CB LEU A 56 5.214 -7.554 -0.239 1.00 1.00 C ATOM 918 CG LEU A 56 6.305 -7.566 -1.316 1.00 1.00 C ATOM 919 CD1 LEU A 56 7.153 -8.820 -1.185 1.00 1.00 C ATOM 920 CD2 LEU A 56 5.703 -7.482 -2.713 1.00 1.00 C ATOM 0 H LEU A 56 6.104 -5.277 -0.358 1.00 1.00 H new ATOM 0 HA LEU A 56 3.711 -6.265 -1.154 1.00 1.00 H new ATOM 0 HB2 LEU A 56 5.693 -7.627 0.737 1.00 1.00 H new ATOM 0 HB3 LEU A 56 4.601 -8.447 -0.360 1.00 1.00 H new ATOM 0 HG LEU A 56 6.936 -6.689 -1.169 1.00 1.00 H new ATOM 0 HD11 LEU A 56 7.925 -8.819 -1.954 1.00 1.00 H new ATOM 0 HD12 LEU A 56 7.621 -8.841 -0.201 1.00 1.00 H new ATOM 0 HD13 LEU A 56 6.522 -9.700 -1.305 1.00 1.00 H new ATOM 0 HD21 LEU A 56 6.502 -7.493 -3.455 1.00 1.00 H new ATOM 0 HD22 LEU A 56 5.044 -8.335 -2.877 1.00 1.00 H new ATOM 0 HD23 LEU A 56 5.132 -6.559 -2.808 1.00 1.00 H new ATOM 932 N MET A 57 3.762 -6.123 2.128 1.00 1.00 N ATOM 933 CA MET A 57 2.950 -6.177 3.345 1.00 1.00 C ATOM 934 C MET A 57 1.587 -5.503 3.180 1.00 1.00 C ATOM 935 O MET A 57 0.549 -6.116 3.412 1.00 1.00 O ATOM 936 CB MET A 57 3.687 -5.483 4.490 1.00 1.00 C ATOM 937 CG MET A 57 2.980 -5.605 5.833 1.00 1.00 C ATOM 938 SD MET A 57 3.819 -4.709 7.158 1.00 1.00 S ATOM 939 CE MET A 57 3.610 -3.011 6.625 1.00 1.00 C ATOM 0 H MET A 57 4.716 -5.799 2.286 1.00 1.00 H new ATOM 0 HA MET A 57 2.785 -7.233 3.560 1.00 1.00 H new ATOM 0 HB2 MET A 57 4.688 -5.906 4.576 1.00 1.00 H new ATOM 0 HB3 MET A 57 3.807 -4.427 4.247 1.00 1.00 H new ATOM 0 HG2 MET A 57 1.961 -5.229 5.736 1.00 1.00 H new ATOM 0 HG3 MET A 57 2.907 -6.658 6.104 1.00 1.00 H new ATOM 0 HE1 MET A 57 4.588 -2.558 6.463 1.00 1.00 H new ATOM 0 HE2 MET A 57 3.041 -2.989 5.696 1.00 1.00 H new ATOM 0 HE3 MET A 57 3.074 -2.452 7.392 1.00 1.00 H new ATOM 949 N MET A 58 1.591 -4.252 2.749 1.00 1.00 N ATOM 950 CA MET A 58 0.339 -3.518 2.619 1.00 1.00 C ATOM 951 C MET A 58 -0.399 -3.894 1.324 1.00 1.00 C ATOM 952 O MET A 58 -1.624 -3.791 1.243 1.00 1.00 O ATOM 953 CB MET A 58 0.582 -2.009 2.745 1.00 1.00 C ATOM 954 CG MET A 58 -0.707 -1.200 2.767 1.00 1.00 C ATOM 955 SD MET A 58 -0.497 0.482 3.405 1.00 1.00 S ATOM 956 CE MET A 58 0.670 1.183 2.245 1.00 1.00 C ATOM 0 H MET A 58 2.428 -3.730 2.488 1.00 1.00 H new ATOM 0 HA MET A 58 -0.318 -3.806 3.439 1.00 1.00 H new ATOM 0 HB2 MET A 58 1.144 -1.812 3.658 1.00 1.00 H new ATOM 0 HB3 MET A 58 1.200 -1.675 1.912 1.00 1.00 H new ATOM 0 HG2 MET A 58 -1.111 -1.148 1.756 1.00 1.00 H new ATOM 0 HG3 MET A 58 -1.443 -1.722 3.378 1.00 1.00 H new ATOM 0 HE1 MET A 58 1.480 1.667 2.791 1.00 1.00 H new ATOM 0 HE2 MET A 58 1.078 0.392 1.617 1.00 1.00 H new ATOM 0 HE3 MET A 58 0.164 1.918 1.619 1.00 1.00 H new ATOM 966 N VAL A 59 0.341 -4.353 0.318 1.00 1.00 N ATOM 967 CA VAL A 59 -0.277 -4.800 -0.932 1.00 1.00 C ATOM 968 C VAL A 59 -1.097 -6.068 -0.652 1.00 1.00 C ATOM 969 O VAL A 59 -2.259 -6.181 -1.053 1.00 1.00 O ATOM 970 CB VAL A 59 0.778 -5.095 -2.026 1.00 1.00 C ATOM 971 CG1 VAL A 59 0.115 -5.541 -3.323 1.00 1.00 C ATOM 972 CG2 VAL A 59 1.651 -3.874 -2.272 1.00 1.00 C ATOM 0 H VAL A 59 1.358 -4.426 0.340 1.00 1.00 H new ATOM 0 HA VAL A 59 -0.918 -4.000 -1.303 1.00 1.00 H new ATOM 0 HB VAL A 59 1.409 -5.909 -1.670 1.00 1.00 H new ATOM 0 HG11 VAL A 59 0.880 -5.741 -4.073 1.00 1.00 H new ATOM 0 HG12 VAL A 59 -0.463 -6.448 -3.143 1.00 1.00 H new ATOM 0 HG13 VAL A 59 -0.548 -4.754 -3.682 1.00 1.00 H new ATOM 0 HG21 VAL A 59 2.386 -4.102 -3.044 1.00 1.00 H new ATOM 0 HG22 VAL A 59 1.028 -3.041 -2.598 1.00 1.00 H new ATOM 0 HG23 VAL A 59 2.165 -3.603 -1.350 1.00 1.00 H new ATOM 982 N GLY A 60 -0.483 -7.000 0.079 1.00 1.00 N ATOM 983 CA GLY A 60 -1.150 -8.240 0.453 1.00 1.00 C ATOM 984 C GLY A 60 -2.312 -7.995 1.408 1.00 1.00 C ATOM 985 O GLY A 60 -3.312 -8.715 1.384 1.00 1.00 O ATOM 0 H GLY A 60 0.474 -6.916 0.422 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -1.516 -8.740 -0.444 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -0.431 -8.912 0.921 1.00 1.00 H new ATOM 989 N GLN A 61 -2.171 -6.973 2.255 1.00 1.00 N ATOM 990 CA GLN A 61 -3.226 -6.598 3.194 1.00 1.00 C ATOM 991 C GLN A 61 -4.464 -6.191 2.403 1.00 1.00 C ATOM 992 O GLN A 61 -5.582 -6.649 2.664 1.00 1.00 O ATOM 993 CB GLN A 61 -2.779 -5.412 4.066 1.00 1.00 C ATOM 994 CG GLN A 61 -3.881 -4.882 4.974 1.00 1.00 C ATOM 995 CD GLN A 61 -3.438 -3.734 5.861 1.00 1.00 C ATOM 996 OE1 GLN A 61 -2.573 -2.945 5.507 1.00 1.00 O ATOM 997 NE2 GLN A 61 -4.037 -3.639 7.032 1.00 1.00 N ATOM 0 H GLN A 61 -1.335 -6.391 2.308 1.00 1.00 H new ATOM 0 HA GLN A 61 -3.444 -7.448 3.841 1.00 1.00 H new ATOM 0 HB2 GLN A 61 -1.931 -5.719 4.677 1.00 1.00 H new ATOM 0 HB3 GLN A 61 -2.431 -4.606 3.420 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -4.719 -4.553 4.360 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -4.246 -5.695 5.602 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -4.754 -4.315 7.294 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -3.783 -2.889 7.675 1.00 1.00 H new ATOM 1006 N ARG A 62 -4.227 -5.354 1.395 1.00 1.00 N ATOM 1007 CA ARG A 62 -5.277 -4.855 0.536 1.00 1.00 C ATOM 1008 C ARG A 62 -5.904 -5.994 -0.257 1.00 1.00 C ATOM 1009 O ARG A 62 -7.109 -6.025 -0.485 1.00 1.00 O ATOM 1010 CB ARG A 62 -4.708 -3.815 -0.425 1.00 1.00 C ATOM 1011 CG ARG A 62 -5.784 -3.103 -1.222 1.00 1.00 C ATOM 1012 CD ARG A 62 -5.214 -2.085 -2.215 1.00 1.00 C ATOM 1013 NE ARG A 62 -4.530 -2.710 -3.356 1.00 1.00 N ATOM 1014 CZ ARG A 62 -4.301 -2.107 -4.503 1.00 1.00 C ATOM 1015 NH1 ARG A 62 -4.655 -0.872 -4.680 1.00 1.00 N ATOM 1016 NH2 ARG A 62 -3.699 -2.741 -5.464 1.00 1.00 N ATOM 0 H ARG A 62 -3.297 -5.008 1.158 1.00 1.00 H new ATOM 0 HA ARG A 62 -6.045 -4.395 1.157 1.00 1.00 H new ATOM 0 HB2 ARG A 62 -4.134 -3.080 0.140 1.00 1.00 H new ATOM 0 HB3 ARG A 62 -4.015 -4.302 -1.112 1.00 1.00 H new ATOM 0 HG2 ARG A 62 -6.375 -3.841 -1.765 1.00 1.00 H new ATOM 0 HG3 ARG A 62 -6.461 -2.594 -0.536 1.00 1.00 H new ATOM 0 HD2 ARG A 62 -6.023 -1.456 -2.585 1.00 1.00 H new ATOM 0 HD3 ARG A 62 -4.515 -1.431 -1.694 1.00 1.00 H new ATOM 0 HE ARG A 62 -4.212 -3.674 -3.252 1.00 1.00 H new ATOM 0 HH11 ARG A 62 -5.115 -0.360 -3.927 1.00 1.00 H new ATOM 0 HH12 ARG A 62 -4.474 -0.412 -5.572 1.00 1.00 H new ATOM 0 HH21 ARG A 62 -3.403 -3.708 -5.330 1.00 1.00 H new ATOM 0 HH22 ARG A 62 -3.522 -2.272 -6.352 1.00 1.00 H new ATOM 1030 N ARG A 63 -5.056 -6.927 -0.669 1.00 1.00 N ATOM 1031 CA ARG A 63 -5.490 -8.088 -1.431 1.00 1.00 C ATOM 1032 C ARG A 63 -6.480 -8.929 -0.619 1.00 1.00 C ATOM 1033 O ARG A 63 -7.443 -9.472 -1.157 1.00 1.00 O ATOM 1034 CB ARG A 63 -4.264 -8.923 -1.813 1.00 1.00 C ATOM 1035 CG ARG A 63 -4.546 -10.062 -2.786 1.00 1.00 C ATOM 1036 CD ARG A 63 -5.049 -9.545 -4.138 1.00 1.00 C ATOM 1037 NE ARG A 63 -5.155 -10.610 -5.150 1.00 1.00 N ATOM 1038 CZ ARG A 63 -5.339 -10.404 -6.436 1.00 1.00 C ATOM 1039 NH1 ARG A 63 -5.498 -9.201 -6.899 1.00 1.00 N ATOM 1040 NH2 ARG A 63 -5.374 -11.413 -7.254 1.00 1.00 N ATOM 0 H ARG A 63 -4.053 -6.900 -0.485 1.00 1.00 H new ATOM 0 HA ARG A 63 -5.999 -7.755 -2.336 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -3.516 -8.264 -2.254 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -3.828 -9.339 -0.905 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -3.638 -10.646 -2.935 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -5.289 -10.733 -2.354 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -6.025 -9.079 -4.004 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -4.373 -8.771 -4.501 1.00 1.00 H new ATOM 0 HE ARG A 63 -5.080 -11.576 -4.831 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -5.481 -8.403 -6.263 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -5.640 -9.054 -7.898 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -5.259 -12.362 -6.898 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -5.517 -11.256 -8.252 1.00 1.00 H new ATOM 1054 N ARG A 64 -6.249 -9.019 0.683 1.00 1.00 N ATOM 1055 CA ARG A 64 -7.132 -9.789 1.547 1.00 1.00 C ATOM 1056 C ARG A 64 -8.404 -9.000 1.884 1.00 1.00 C ATOM 1057 O ARG A 64 -9.475 -9.585 2.065 1.00 1.00 O ATOM 1058 CB ARG A 64 -6.402 -10.213 2.827 1.00 1.00 C ATOM 1059 CG ARG A 64 -7.202 -11.177 3.694 1.00 1.00 C ATOM 1060 CD ARG A 64 -7.671 -12.395 2.894 1.00 1.00 C ATOM 1061 NE ARG A 64 -6.557 -13.096 2.237 1.00 1.00 N ATOM 1062 CZ ARG A 64 -6.413 -13.247 0.933 1.00 1.00 C ATOM 1063 NH1 ARG A 64 -7.302 -12.790 0.103 1.00 1.00 N ATOM 1064 NH2 ARG A 64 -5.367 -13.860 0.474 1.00 1.00 N ATOM 0 H ARG A 64 -5.466 -8.573 1.161 1.00 1.00 H new ATOM 0 HA ARG A 64 -7.429 -10.688 1.007 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -5.455 -10.680 2.557 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -6.164 -9.324 3.411 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -6.590 -11.506 4.534 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -8.066 -10.660 4.112 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -8.190 -13.085 3.559 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -8.391 -12.076 2.141 1.00 1.00 H new ATOM 0 HE ARG A 64 -5.837 -13.498 2.838 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -8.127 -12.306 0.456 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -7.174 -12.916 -0.901 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -4.664 -14.221 1.119 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -5.247 -13.981 -0.532 1.00 1.00 H new ATOM 1078 N LEU A 65 -8.290 -7.675 1.922 1.00 1.00 N ATOM 1079 CA LEU A 65 -9.434 -6.814 2.235 1.00 1.00 C ATOM 1080 C LEU A 65 -10.495 -6.851 1.128 1.00 1.00 C ATOM 1081 O LEU A 65 -11.641 -6.461 1.351 1.00 1.00 O ATOM 1082 CB LEU A 65 -8.980 -5.366 2.461 1.00 1.00 C ATOM 1083 CG LEU A 65 -8.088 -5.137 3.686 1.00 1.00 C ATOM 1084 CD1 LEU A 65 -7.683 -3.675 3.781 1.00 1.00 C ATOM 1085 CD2 LEU A 65 -8.795 -5.569 4.963 1.00 1.00 C ATOM 0 H LEU A 65 -7.421 -7.172 1.741 1.00 1.00 H new ATOM 0 HA LEU A 65 -9.881 -7.200 3.151 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -8.443 -5.030 1.574 1.00 1.00 H new ATOM 0 HB3 LEU A 65 -9.865 -4.737 2.555 1.00 1.00 H new ATOM 0 HG LEU A 65 -7.191 -5.745 3.569 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -7.050 -3.529 4.656 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -7.133 -3.391 2.884 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -8.575 -3.055 3.871 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -8.141 -5.396 5.817 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -9.711 -4.991 5.085 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -9.040 -6.629 4.902 1.00 1.00 H new ATOM 1097 N LEU A 66 -10.121 -7.333 -0.058 1.00 1.00 N ATOM 1098 CA LEU A 66 -11.061 -7.415 -1.176 1.00 1.00 C ATOM 1099 C LEU A 66 -12.305 -8.244 -0.803 1.00 1.00 C ATOM 1100 O LEU A 66 -13.428 -7.811 -1.043 1.00 1.00 O ATOM 1101 CB LEU A 66 -10.385 -7.991 -2.428 1.00 1.00 C ATOM 1102 CG LEU A 66 -9.215 -7.167 -2.991 1.00 1.00 C ATOM 1103 CD1 LEU A 66 -8.624 -7.856 -4.213 1.00 1.00 C ATOM 1104 CD2 LEU A 66 -9.658 -5.753 -3.349 1.00 1.00 C ATOM 0 H LEU A 66 -9.182 -7.670 -0.268 1.00 1.00 H new ATOM 0 HA LEU A 66 -11.387 -6.400 -1.402 1.00 1.00 H new ATOM 0 HB2 LEU A 66 -10.022 -8.992 -2.195 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -11.138 -8.099 -3.208 1.00 1.00 H new ATOM 0 HG LEU A 66 -8.451 -7.097 -2.217 1.00 1.00 H new ATOM 0 HD11 LEU A 66 -7.797 -7.262 -4.601 1.00 1.00 H new ATOM 0 HD12 LEU A 66 -8.261 -8.845 -3.933 1.00 1.00 H new ATOM 0 HD13 LEU A 66 -9.391 -7.956 -4.981 1.00 1.00 H new ATOM 0 HD21 LEU A 66 -8.809 -5.195 -3.744 1.00 1.00 H new ATOM 0 HD22 LEU A 66 -10.445 -5.798 -4.102 1.00 1.00 H new ATOM 0 HD23 LEU A 66 -10.037 -5.254 -2.457 1.00 1.00 H new ATOM 1116 N ARG A 67 -12.125 -9.423 -0.190 1.00 1.00 N ATOM 1117 CA ARG A 67 -13.295 -10.226 0.208 1.00 1.00 C ATOM 1118 C ARG A 67 -13.993 -9.606 1.426 1.00 1.00 C ATOM 1119 O ARG A 67 -15.144 -9.927 1.711 1.00 1.00 O ATOM 1120 CB ARG A 67 -12.960 -11.698 0.500 1.00 1.00 C ATOM 1121 CG ARG A 67 -12.572 -12.507 -0.731 1.00 1.00 C ATOM 1122 CD ARG A 67 -12.672 -14.025 -0.485 1.00 1.00 C ATOM 1123 NE ARG A 67 -11.952 -14.474 0.724 1.00 1.00 N ATOM 1124 CZ ARG A 67 -11.826 -15.738 1.087 1.00 1.00 C ATOM 1125 NH1 ARG A 67 -12.274 -16.692 0.332 1.00 1.00 N ATOM 1126 NH2 ARG A 67 -11.232 -16.037 2.208 1.00 1.00 N ATOM 0 H ARG A 67 -11.218 -9.832 0.035 1.00 1.00 H new ATOM 0 HA ARG A 67 -13.966 -10.216 -0.651 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -12.142 -11.737 1.219 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -13.822 -12.168 0.973 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -13.220 -12.232 -1.563 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -11.553 -12.254 -1.023 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -13.722 -14.302 -0.397 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -12.275 -14.553 -1.352 1.00 1.00 H new ATOM 0 HE ARG A 67 -11.525 -13.762 1.317 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -12.730 -16.470 -0.553 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -12.171 -17.664 0.623 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -10.865 -15.295 2.804 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -11.134 -17.013 2.489 1.00 1.00 H new ATOM 1140 N TYR A 68 -13.301 -8.723 2.152 1.00 1.00 N ATOM 1141 CA TYR A 68 -13.923 -8.058 3.296 1.00 1.00 C ATOM 1142 C TYR A 68 -14.957 -7.052 2.788 1.00 1.00 C ATOM 1143 O TYR A 68 -16.128 -7.131 3.139 1.00 1.00 O ATOM 1144 CB TYR A 68 -12.894 -7.348 4.195 1.00 1.00 C ATOM 1145 CG TYR A 68 -13.526 -6.603 5.363 1.00 1.00 C ATOM 1146 CD1 TYR A 68 -13.860 -7.265 6.542 1.00 1.00 C ATOM 1147 CD2 TYR A 68 -13.809 -5.242 5.279 1.00 1.00 C ATOM 1148 CE1 TYR A 68 -14.450 -6.592 7.600 1.00 1.00 C ATOM 1149 CE2 TYR A 68 -14.400 -4.567 6.331 1.00 1.00 C ATOM 1150 CZ TYR A 68 -14.720 -5.243 7.485 1.00 1.00 C ATOM 1151 OH TYR A 68 -15.309 -4.563 8.527 1.00 1.00 O ATOM 0 H TYR A 68 -12.333 -8.458 1.973 1.00 1.00 H new ATOM 0 HA TYR A 68 -14.404 -8.822 3.907 1.00 1.00 H new ATOM 0 HB2 TYR A 68 -12.190 -8.085 4.582 1.00 1.00 H new ATOM 0 HB3 TYR A 68 -12.320 -6.644 3.592 1.00 1.00 H new ATOM 0 HD1 TYR A 68 -13.656 -8.322 6.633 1.00 1.00 H new ATOM 0 HD2 TYR A 68 -13.562 -4.704 4.376 1.00 1.00 H new ATOM 0 HE1 TYR A 68 -14.697 -7.120 8.509 1.00 1.00 H new ATOM 0 HE2 TYR A 68 -14.610 -3.511 6.247 1.00 1.00 H new ATOM 0 HH TYR A 68 -15.427 -3.622 8.279 1.00 1.00 H new ATOM 1161 N LEU A 69 -14.534 -6.135 1.908 1.00 1.00 N ATOM 1162 CA LEU A 69 -15.467 -5.137 1.369 1.00 1.00 C ATOM 1163 C LEU A 69 -16.541 -5.826 0.514 1.00 1.00 C ATOM 1164 O LEU A 69 -17.677 -5.369 0.437 1.00 1.00 O ATOM 1165 CB LEU A 69 -14.750 -4.046 0.550 1.00 1.00 C ATOM 1166 CG LEU A 69 -13.959 -2.991 1.353 1.00 1.00 C ATOM 1167 CD1 LEU A 69 -14.782 -2.441 2.510 1.00 1.00 C ATOM 1168 CD2 LEU A 69 -12.637 -3.552 1.861 1.00 1.00 C ATOM 0 H LEU A 69 -13.577 -6.063 1.561 1.00 1.00 H new ATOM 0 HA LEU A 69 -15.939 -4.642 2.218 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -14.063 -4.534 -0.141 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -15.495 -3.528 -0.054 1.00 1.00 H new ATOM 0 HG LEU A 69 -13.739 -2.170 0.671 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -14.195 -1.701 3.054 1.00 1.00 H new ATOM 0 HD12 LEU A 69 -15.687 -1.973 2.123 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -15.054 -3.255 3.182 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -12.107 -2.782 2.422 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -12.830 -4.406 2.510 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -12.027 -3.870 1.015 1.00 1.00 H new ATOM 1180 N GLN A 70 -16.169 -6.935 -0.121 1.00 1.00 N ATOM 1181 CA GLN A 70 -17.104 -7.722 -0.931 1.00 1.00 C ATOM 1182 C GLN A 70 -18.311 -8.153 -0.117 1.00 1.00 C ATOM 1183 O GLN A 70 -19.454 -8.056 -0.556 1.00 1.00 O ATOM 1184 CB GLN A 70 -16.404 -8.979 -1.445 1.00 1.00 C ATOM 1185 CG GLN A 70 -17.347 -10.063 -1.947 1.00 1.00 C ATOM 1186 CD GLN A 70 -16.595 -11.261 -2.485 1.00 1.00 C ATOM 1187 OE1 GLN A 70 -16.188 -12.147 -1.743 1.00 1.00 O ATOM 1188 NE2 GLN A 70 -16.409 -11.301 -3.787 1.00 1.00 N ATOM 0 H GLN A 70 -15.222 -7.313 -0.092 1.00 1.00 H new ATOM 0 HA GLN A 70 -17.435 -7.095 -1.759 1.00 1.00 H new ATOM 0 HB2 GLN A 70 -15.729 -8.699 -2.253 1.00 1.00 H new ATOM 0 HB3 GLN A 70 -15.790 -9.391 -0.644 1.00 1.00 H new ATOM 0 HG2 GLN A 70 -18.001 -10.380 -1.135 1.00 1.00 H new ATOM 0 HG3 GLN A 70 -17.986 -9.654 -2.730 1.00 1.00 H new ATOM 0 HE21 GLN A 70 -16.761 -10.546 -4.376 1.00 1.00 H new ATOM 0 HE22 GLN A 70 -15.913 -12.087 -4.207 1.00 1.00 H new ATOM 1197 N ARG A 71 -18.042 -8.611 1.079 1.00 1.00 N ATOM 1198 CA ARG A 71 -19.087 -9.093 1.942 1.00 1.00 C ATOM 1199 C ARG A 71 -19.832 -7.942 2.640 1.00 1.00 C ATOM 1200 O ARG A 71 -20.886 -8.153 3.233 1.00 1.00 O ATOM 1201 CB ARG A 71 -18.481 -10.075 2.934 1.00 1.00 C ATOM 1202 CG ARG A 71 -19.509 -10.841 3.744 1.00 1.00 C ATOM 1203 CD ARG A 71 -20.295 -11.837 2.884 1.00 1.00 C ATOM 1204 NE ARG A 71 -21.350 -12.514 3.656 1.00 1.00 N ATOM 1205 CZ ARG A 71 -21.786 -13.736 3.430 1.00 1.00 C ATOM 1206 NH1 ARG A 71 -21.274 -14.464 2.488 1.00 1.00 N ATOM 1207 NH2 ARG A 71 -22.741 -14.225 4.165 1.00 1.00 N ATOM 0 H ARG A 71 -17.104 -8.660 1.477 1.00 1.00 H new ATOM 0 HA ARG A 71 -19.841 -9.608 1.347 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -17.857 -10.785 2.392 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -17.827 -9.531 3.616 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -19.009 -11.376 4.551 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -20.201 -10.138 4.208 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -20.742 -11.313 2.039 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -19.612 -12.580 2.473 1.00 1.00 H new ATOM 0 HE ARG A 71 -21.776 -11.997 4.425 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -20.522 -14.092 1.908 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -21.623 -15.409 2.326 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -23.148 -13.663 4.912 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -23.083 -15.171 3.994 1.00 1.00 H new ATOM 1221 N GLU A 72 -19.306 -6.721 2.536 1.00 1.00 N ATOM 1222 CA GLU A 72 -19.973 -5.553 3.134 1.00 1.00 C ATOM 1223 C GLU A 72 -20.980 -4.987 2.127 1.00 1.00 C ATOM 1224 O GLU A 72 -21.933 -4.285 2.484 1.00 1.00 O ATOM 1225 CB GLU A 72 -18.962 -4.458 3.508 1.00 1.00 C ATOM 1226 CG GLU A 72 -17.920 -4.880 4.533 1.00 1.00 C ATOM 1227 CD GLU A 72 -18.527 -5.321 5.852 1.00 1.00 C ATOM 1228 OE1 GLU A 72 -19.061 -4.457 6.580 1.00 1.00 O ATOM 1229 OE2 GLU A 72 -18.456 -6.527 6.165 1.00 1.00 O ATOM 0 H GLU A 72 -18.433 -6.511 2.052 1.00 1.00 H new ATOM 0 HA GLU A 72 -20.478 -5.874 4.045 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -18.450 -4.130 2.603 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -19.506 -3.597 3.896 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -17.325 -5.696 4.123 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -17.239 -4.048 4.713 1.00 1.00 H new ATOM 1236 N ASP A 73 -20.743 -5.350 0.865 1.00 1.00 N ATOM 1237 CA ASP A 73 -21.539 -4.942 -0.285 1.00 1.00 C ATOM 1238 C ASP A 73 -20.831 -5.420 -1.563 1.00 1.00 C ATOM 1239 O ASP A 73 -19.731 -4.960 -1.890 1.00 1.00 O ATOM 1240 CB ASP A 73 -21.727 -3.422 -0.329 1.00 1.00 C ATOM 1241 CG ASP A 73 -22.548 -2.983 -1.523 1.00 1.00 C ATOM 1242 OD1 ASP A 73 -23.784 -3.123 -1.487 1.00 1.00 O ATOM 1243 OD2 ASP A 73 -21.952 -2.495 -2.506 1.00 1.00 O ATOM 0 H ASP A 73 -19.964 -5.957 0.611 1.00 1.00 H new ATOM 0 HA ASP A 73 -22.529 -5.391 -0.206 1.00 1.00 H new ATOM 0 HB2 ASP A 73 -22.216 -3.091 0.587 1.00 1.00 H new ATOM 0 HB3 ASP A 73 -20.751 -2.937 -0.363 1.00 1.00 H new ATOM 1248 N PRO A 74 -21.438 -6.361 -2.303 1.00 1.00 N ATOM 1249 CA PRO A 74 -20.837 -6.908 -3.529 1.00 1.00 C ATOM 1250 C PRO A 74 -20.702 -5.871 -4.646 1.00 1.00 C ATOM 1251 O PRO A 74 -19.902 -6.039 -5.571 1.00 1.00 O ATOM 1252 CB PRO A 74 -21.803 -8.019 -3.939 1.00 1.00 C ATOM 1253 CG PRO A 74 -23.100 -7.668 -3.293 1.00 1.00 C ATOM 1254 CD PRO A 74 -22.755 -6.951 -2.016 1.00 1.00 C ATOM 0 HA PRO A 74 -19.818 -7.253 -3.353 1.00 1.00 H new ATOM 0 HB2 PRO A 74 -21.905 -8.072 -5.023 1.00 1.00 H new ATOM 0 HB3 PRO A 74 -21.447 -8.993 -3.604 1.00 1.00 H new ATOM 0 HG2 PRO A 74 -23.700 -7.034 -3.945 1.00 1.00 H new ATOM 0 HG3 PRO A 74 -23.688 -8.563 -3.090 1.00 1.00 H new ATOM 0 HD2 PRO A 74 -23.493 -6.187 -1.772 1.00 1.00 H new ATOM 0 HD3 PRO A 74 -22.713 -7.636 -1.169 1.00 1.00 H new ATOM 1262 N GLU A 75 -21.465 -4.792 -4.545 1.00 1.00 N ATOM 1263 CA GLU A 75 -21.414 -3.728 -5.536 1.00 1.00 C ATOM 1264 C GLU A 75 -20.126 -2.932 -5.326 1.00 1.00 C ATOM 1265 O GLU A 75 -19.447 -2.546 -6.276 1.00 1.00 O ATOM 1266 CB GLU A 75 -22.660 -2.846 -5.412 1.00 1.00 C ATOM 1267 CG GLU A 75 -22.796 -1.778 -6.486 1.00 1.00 C ATOM 1268 CD GLU A 75 -22.949 -2.358 -7.876 1.00 1.00 C ATOM 1269 OE1 GLU A 75 -23.888 -3.150 -8.095 1.00 1.00 O ATOM 1270 OE2 GLU A 75 -22.120 -2.019 -8.749 1.00 1.00 O ATOM 0 H GLU A 75 -22.127 -4.631 -3.786 1.00 1.00 H new ATOM 0 HA GLU A 75 -21.407 -4.138 -6.546 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -23.543 -3.484 -5.440 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -22.648 -2.360 -4.436 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -23.660 -1.152 -6.262 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -21.919 -1.131 -6.462 1.00 1.00 H new ATOM 1277 N ARG A 76 -19.768 -2.713 -4.066 1.00 1.00 N ATOM 1278 CA ARG A 76 -18.524 -2.024 -3.761 1.00 1.00 C ATOM 1279 C ARG A 76 -17.327 -2.895 -4.162 1.00 1.00 C ATOM 1280 O ARG A 76 -16.286 -2.379 -4.545 1.00 1.00 O ATOM 1281 CB ARG A 76 -18.417 -1.654 -2.280 1.00 1.00 C ATOM 1282 CG ARG A 76 -19.490 -0.683 -1.808 1.00 1.00 C ATOM 1283 CD ARG A 76 -19.672 0.471 -2.783 1.00 1.00 C ATOM 1284 NE ARG A 76 -20.647 1.469 -2.319 1.00 1.00 N ATOM 1285 CZ ARG A 76 -21.953 1.352 -2.415 1.00 1.00 C ATOM 1286 NH1 ARG A 76 -22.512 0.218 -2.727 1.00 1.00 N ATOM 1287 NH2 ARG A 76 -22.703 2.371 -2.122 1.00 1.00 N ATOM 0 H ARG A 76 -20.313 -2.998 -3.252 1.00 1.00 H new ATOM 0 HA ARG A 76 -18.518 -1.098 -4.336 1.00 1.00 H new ATOM 0 HB2 ARG A 76 -18.476 -2.564 -1.683 1.00 1.00 H new ATOM 0 HB3 ARG A 76 -17.437 -1.215 -2.095 1.00 1.00 H new ATOM 0 HG2 ARG A 76 -20.435 -1.213 -1.691 1.00 1.00 H new ATOM 0 HG3 ARG A 76 -19.221 -0.292 -0.827 1.00 1.00 H new ATOM 0 HD2 ARG A 76 -18.710 0.958 -2.944 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -19.995 0.077 -3.747 1.00 1.00 H new ATOM 0 HE ARG A 76 -20.282 2.319 -1.889 1.00 1.00 H new ATOM 0 HH11 ARG A 76 -21.934 -0.604 -2.903 1.00 1.00 H new ATOM 0 HH12 ARG A 76 -23.528 0.152 -2.795 1.00 1.00 H new ATOM 0 HH21 ARG A 76 -22.277 3.248 -1.822 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -23.718 2.294 -2.192 1.00 1.00 H new ATOM 1301 N TYR A 77 -17.498 -4.219 -4.095 1.00 1.00 N ATOM 1302 CA TYR A 77 -16.435 -5.153 -4.478 1.00 1.00 C ATOM 1303 C TYR A 77 -15.990 -4.885 -5.895 1.00 1.00 C ATOM 1304 O TYR A 77 -14.831 -4.555 -6.163 1.00 1.00 O ATOM 1305 CB TYR A 77 -16.945 -6.597 -4.459 1.00 1.00 C ATOM 1306 CG TYR A 77 -15.897 -7.627 -4.827 1.00 1.00 C ATOM 1307 CD1 TYR A 77 -14.759 -7.778 -4.051 1.00 1.00 C ATOM 1308 CD2 TYR A 77 -16.032 -8.431 -5.959 1.00 1.00 C ATOM 1309 CE1 TYR A 77 -13.805 -8.726 -4.358 1.00 1.00 C ATOM 1310 CE2 TYR A 77 -15.078 -9.381 -6.275 1.00 1.00 C ATOM 1311 CZ TYR A 77 -13.957 -9.510 -5.481 1.00 1.00 C ATOM 1312 OH TYR A 77 -13.008 -10.456 -5.788 1.00 1.00 O ATOM 0 H TYR A 77 -18.359 -4.667 -3.780 1.00 1.00 H new ATOM 0 HA TYR A 77 -15.620 -5.016 -3.768 1.00 1.00 H new ATOM 0 HB2 TYR A 77 -17.328 -6.823 -3.464 1.00 1.00 H new ATOM 0 HB3 TYR A 77 -17.783 -6.684 -5.150 1.00 1.00 H new ATOM 0 HD1 TYR A 77 -14.616 -7.142 -3.190 1.00 1.00 H new ATOM 0 HD2 TYR A 77 -16.894 -8.310 -6.598 1.00 1.00 H new ATOM 0 HE1 TYR A 77 -12.942 -8.853 -3.721 1.00 1.00 H new ATOM 0 HE2 TYR A 77 -15.210 -10.018 -7.137 1.00 1.00 H new ATOM 0 HH TYR A 77 -13.266 -10.923 -6.610 1.00 1.00 H new ATOM 1322 N ARG A 78 -16.954 -5.000 -6.803 1.00 1.00 N ATOM 1323 CA ARG A 78 -16.680 -4.840 -8.199 1.00 1.00 C ATOM 1324 C ARG A 78 -16.292 -3.412 -8.571 1.00 1.00 C ATOM 1325 O ARG A 78 -15.518 -3.214 -9.492 1.00 1.00 O ATOM 1326 CB ARG A 78 -17.819 -5.403 -9.080 1.00 1.00 C ATOM 1327 CG ARG A 78 -19.264 -4.949 -8.795 1.00 1.00 C ATOM 1328 CD ARG A 78 -19.516 -3.458 -9.039 1.00 1.00 C ATOM 1329 NE ARG A 78 -19.110 -2.980 -10.368 1.00 1.00 N ATOM 1330 CZ ARG A 78 -19.262 -1.737 -10.757 1.00 1.00 C ATOM 1331 NH1 ARG A 78 -20.076 -0.951 -10.122 1.00 1.00 N ATOM 1332 NH2 ARG A 78 -18.671 -1.310 -11.835 1.00 1.00 N ATOM 0 H ARG A 78 -17.929 -5.204 -6.582 1.00 1.00 H new ATOM 0 HA ARG A 78 -15.797 -5.443 -8.411 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -17.591 -5.152 -10.116 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -17.792 -6.490 -9.002 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -19.944 -5.528 -9.420 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -19.508 -5.182 -7.758 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -20.578 -3.255 -8.903 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -18.982 -2.884 -8.282 1.00 1.00 H new ATOM 0 HE ARG A 78 -18.691 -3.645 -11.017 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -20.599 -1.300 -9.319 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -20.193 0.016 -10.426 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -18.087 -1.943 -12.381 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -18.792 -0.342 -12.134 1.00 1.00 H new ATOM 1346 N ALA A 79 -16.765 -2.412 -7.843 1.00 1.00 N ATOM 1347 CA ALA A 79 -16.378 -1.054 -8.196 1.00 1.00 C ATOM 1348 C ALA A 79 -15.043 -0.676 -7.563 1.00 1.00 C ATOM 1349 O ALA A 79 -14.362 0.234 -8.020 1.00 1.00 O ATOM 1350 CB ALA A 79 -17.459 -0.054 -7.860 1.00 1.00 C ATOM 0 H ALA A 79 -17.388 -2.504 -7.041 1.00 1.00 H new ATOM 0 HA ALA A 79 -16.247 -1.026 -9.278 1.00 1.00 H new ATOM 0 HB1 ALA A 79 -17.129 0.946 -8.140 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -18.368 -0.303 -8.408 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -17.662 -0.083 -6.789 1.00 1.00 H new ATOM 1356 N LEU A 80 -14.655 -1.379 -6.515 1.00 1.00 N ATOM 1357 CA LEU A 80 -13.375 -1.121 -5.897 1.00 1.00 C ATOM 1358 C LEU A 80 -12.289 -1.743 -6.768 1.00 1.00 C ATOM 1359 O LEU A 80 -11.186 -1.219 -6.880 1.00 1.00 O ATOM 1360 CB LEU A 80 -13.337 -1.685 -4.480 1.00 1.00 C ATOM 1361 CG LEU A 80 -12.083 -1.368 -3.657 1.00 1.00 C ATOM 1362 CD1 LEU A 80 -12.014 0.115 -3.320 1.00 1.00 C ATOM 1363 CD2 LEU A 80 -12.077 -2.204 -2.386 1.00 1.00 C ATOM 0 H LEU A 80 -15.202 -2.123 -6.081 1.00 1.00 H new ATOM 0 HA LEU A 80 -13.208 -0.047 -5.818 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -14.206 -1.310 -3.939 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -13.442 -2.768 -4.540 1.00 1.00 H new ATOM 0 HG LEU A 80 -11.204 -1.617 -4.252 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -11.115 0.314 -2.736 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -11.984 0.696 -4.241 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -12.893 0.398 -2.741 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -11.184 -1.975 -1.804 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -12.964 -1.974 -1.795 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -12.079 -3.262 -2.647 1.00 1.00 H new ATOM 1375 N ILE A 81 -12.625 -2.831 -7.452 1.00 1.00 N ATOM 1376 CA ILE A 81 -11.635 -3.460 -8.310 1.00 1.00 C ATOM 1377 C ILE A 81 -11.514 -2.644 -9.589 1.00 1.00 C ATOM 1378 O ILE A 81 -10.448 -2.548 -10.199 1.00 1.00 O ATOM 1379 CB ILE A 81 -11.905 -4.971 -8.572 1.00 1.00 C ATOM 1380 CG1 ILE A 81 -13.210 -5.265 -9.337 1.00 1.00 C ATOM 1381 CG2 ILE A 81 -11.931 -5.694 -7.235 1.00 1.00 C ATOM 1382 CD1 ILE A 81 -13.093 -5.173 -10.847 1.00 1.00 C ATOM 0 H ILE A 81 -13.540 -3.281 -7.431 1.00 1.00 H new ATOM 0 HA ILE A 81 -10.676 -3.458 -7.792 1.00 1.00 H new ATOM 0 HB ILE A 81 -11.100 -5.326 -9.215 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -13.553 -6.265 -9.073 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -13.977 -4.567 -9.002 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -12.119 -6.755 -7.399 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -10.971 -5.569 -6.735 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -12.722 -5.277 -6.611 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -14.059 -5.395 -11.301 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -12.783 -4.166 -11.127 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -12.353 -5.891 -11.199 1.00 1.00 H new ATOM 1394 N GLU A 82 -12.625 -2.024 -9.948 1.00 1.00 N ATOM 1395 CA GLU A 82 -12.704 -1.141 -11.095 1.00 1.00 C ATOM 1396 C GLU A 82 -11.983 0.185 -10.828 1.00 1.00 C ATOM 1397 O GLU A 82 -11.225 0.665 -11.660 1.00 1.00 O ATOM 1398 CB GLU A 82 -14.172 -0.848 -11.396 1.00 1.00 C ATOM 1399 CG GLU A 82 -14.396 0.112 -12.551 1.00 1.00 C ATOM 1400 CD GLU A 82 -15.861 0.481 -12.705 1.00 1.00 C ATOM 1401 OE1 GLU A 82 -16.297 1.474 -12.078 1.00 1.00 O ATOM 1402 OE2 GLU A 82 -16.584 -0.237 -13.429 1.00 1.00 O ATOM 0 H GLU A 82 -13.507 -2.122 -9.444 1.00 1.00 H new ATOM 0 HA GLU A 82 -12.224 -1.634 -11.940 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -14.680 -1.787 -11.616 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -14.639 -0.436 -10.501 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -13.809 1.016 -12.391 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -14.037 -0.341 -13.475 1.00 1.00 H new ATOM 1409 N LYS A 83 -12.184 0.761 -9.650 1.00 1.00 N ATOM 1410 CA LYS A 83 -11.579 2.061 -9.367 1.00 1.00 C ATOM 1411 C LYS A 83 -10.117 1.962 -8.920 1.00 1.00 C ATOM 1412 O LYS A 83 -9.329 2.859 -9.201 1.00 1.00 O ATOM 1413 CB LYS A 83 -12.428 2.853 -8.378 1.00 1.00 C ATOM 1414 CG LYS A 83 -13.800 3.195 -8.943 1.00 1.00 C ATOM 1415 CD LYS A 83 -14.645 3.956 -7.942 1.00 1.00 C ATOM 1416 CE LYS A 83 -16.032 4.264 -8.491 1.00 1.00 C ATOM 1417 NZ LYS A 83 -15.982 5.106 -9.723 1.00 1.00 N ATOM 0 H LYS A 83 -12.743 0.366 -8.894 1.00 1.00 H new ATOM 0 HA LYS A 83 -11.558 2.609 -10.309 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -12.548 2.276 -7.461 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -11.908 3.773 -8.110 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -13.682 3.791 -9.848 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -14.314 2.278 -9.230 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -14.738 3.372 -7.026 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -14.144 4.887 -7.677 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -16.548 3.330 -8.713 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -16.617 4.777 -7.727 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -16.943 5.415 -9.971 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -15.384 5.939 -9.550 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -15.584 4.551 -10.507 1.00 1.00 H new ATOM 1431 N LEU A 84 -9.742 0.898 -8.221 1.00 1.00 N ATOM 1432 CA LEU A 84 -8.339 0.741 -7.838 1.00 1.00 C ATOM 1433 C LEU A 84 -7.528 0.283 -9.052 1.00 1.00 C ATOM 1434 O LEU A 84 -6.360 0.629 -9.203 1.00 1.00 O ATOM 1435 CB LEU A 84 -8.162 -0.283 -6.712 1.00 1.00 C ATOM 1436 CG LEU A 84 -8.802 0.065 -5.366 1.00 1.00 C ATOM 1437 CD1 LEU A 84 -8.517 -1.038 -4.360 1.00 1.00 C ATOM 1438 CD2 LEU A 84 -8.290 1.398 -4.842 1.00 1.00 C ATOM 0 H LEU A 84 -10.365 0.151 -7.914 1.00 1.00 H new ATOM 0 HA LEU A 84 -7.987 1.708 -7.478 1.00 1.00 H new ATOM 0 HB2 LEU A 84 -8.572 -1.235 -7.049 1.00 1.00 H new ATOM 0 HB3 LEU A 84 -7.094 -0.434 -6.553 1.00 1.00 H new ATOM 0 HG LEU A 84 -9.879 0.153 -5.511 1.00 1.00 H new ATOM 0 HD11 LEU A 84 -8.975 -0.785 -3.404 1.00 1.00 H new ATOM 0 HD12 LEU A 84 -8.932 -1.978 -4.724 1.00 1.00 H new ATOM 0 HD13 LEU A 84 -7.440 -1.143 -4.230 1.00 1.00 H new ATOM 0 HD21 LEU A 84 -8.762 1.618 -3.885 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -7.209 1.346 -4.710 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -8.531 2.186 -5.555 1.00 1.00 H new ATOM 1450 N GLY A 85 -8.164 -0.500 -9.915 1.00 1.00 N ATOM 1451 CA GLY A 85 -7.483 -1.008 -11.093 1.00 1.00 C ATOM 1452 C GLY A 85 -6.840 -2.345 -10.799 1.00 1.00 C ATOM 1453 O GLY A 85 -5.625 -2.504 -10.845 1.00 1.00 O ATOM 0 H GLY A 85 -9.137 -0.792 -9.822 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -8.193 -1.112 -11.914 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -6.724 -0.296 -11.416 1.00 1.00 H new ATOM 1457 N ILE A 86 -7.673 -3.314 -10.481 1.00 1.00 N ATOM 1458 CA ILE A 86 -7.205 -4.632 -10.114 1.00 1.00 C ATOM 1459 C ILE A 86 -7.031 -5.546 -11.357 1.00 1.00 C ATOM 1460 O ILE A 86 -6.194 -6.447 -11.373 1.00 1.00 O ATOM 1461 CB ILE A 86 -8.177 -5.246 -9.072 1.00 1.00 C ATOM 1462 CG1 ILE A 86 -7.555 -5.213 -7.664 1.00 1.00 C ATOM 1463 CG2 ILE A 86 -8.632 -6.651 -9.430 1.00 1.00 C ATOM 1464 CD1 ILE A 86 -7.325 -3.812 -7.128 1.00 1.00 C ATOM 0 H ILE A 86 -8.688 -3.210 -10.470 1.00 1.00 H new ATOM 0 HA ILE A 86 -6.217 -4.546 -9.663 1.00 1.00 H new ATOM 0 HB ILE A 86 -9.072 -4.624 -9.081 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -8.207 -5.752 -6.977 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -6.604 -5.745 -7.685 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -9.309 -7.021 -8.660 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -9.149 -6.633 -10.390 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -7.765 -7.308 -9.497 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -6.885 -3.871 -6.133 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -6.648 -3.275 -7.793 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -8.276 -3.283 -7.073 1.00 1.00 H new ATOM 1476 N ARG A 87 -7.800 -5.292 -12.432 1.00 1.00 N ATOM 1477 CA ARG A 87 -7.700 -6.095 -13.681 1.00 1.00 C ATOM 1478 C ARG A 87 -6.555 -5.529 -14.504 1.00 1.00 C ATOM 1479 O ARG A 87 -5.965 -6.157 -15.406 1.00 1.00 O ATOM 1480 CB ARG A 87 -9.012 -6.042 -14.453 1.00 1.00 C ATOM 1481 CG ARG A 87 -10.231 -6.409 -13.601 1.00 1.00 C ATOM 1482 CD ARG A 87 -10.157 -7.844 -13.071 1.00 1.00 C ATOM 1483 NE ARG A 87 -11.387 -8.221 -12.355 1.00 1.00 N ATOM 1484 CZ ARG A 87 -11.429 -8.974 -11.278 1.00 1.00 C ATOM 1485 NH1 ARG A 87 -10.345 -9.476 -10.776 1.00 1.00 N ATOM 1486 NH2 ARG A 87 -12.571 -9.219 -10.709 1.00 1.00 N ATOM 0 H ARG A 87 -8.494 -4.545 -12.469 1.00 1.00 H new ATOM 0 HA ARG A 87 -7.506 -7.142 -13.450 1.00 1.00 H new ATOM 0 HB2 ARG A 87 -9.148 -5.039 -14.856 1.00 1.00 H new ATOM 0 HB3 ARG A 87 -8.953 -6.722 -15.303 1.00 1.00 H new ATOM 0 HG2 ARG A 87 -10.307 -5.717 -12.762 1.00 1.00 H new ATOM 0 HG3 ARG A 87 -11.137 -6.290 -14.196 1.00 1.00 H new ATOM 0 HD2 ARG A 87 -9.993 -8.531 -13.901 1.00 1.00 H new ATOM 0 HD3 ARG A 87 -9.302 -7.942 -12.403 1.00 1.00 H new ATOM 0 HE ARG A 87 -12.272 -7.872 -12.722 1.00 1.00 H new ATOM 0 HH11 ARG A 87 -9.444 -9.289 -11.217 1.00 1.00 H new ATOM 0 HH12 ARG A 87 -10.392 -10.058 -9.940 1.00 1.00 H new ATOM 0 HH21 ARG A 87 -13.429 -8.828 -11.098 1.00 1.00 H new ATOM 0 HH22 ARG A 87 -12.610 -9.803 -9.873 1.00 1.00 H new ATOM 1500 N GLY A 88 -6.388 -4.269 -14.134 1.00 1.00 N ATOM 1501 CA GLY A 88 -5.326 -3.361 -14.568 1.00 1.00 C ATOM 1502 C GLY A 88 -5.742 -1.932 -14.728 1.00 1.00 C ATOM 1503 O GLY A 88 -6.953 -1.623 -14.710 1.00 1.00 O ATOM 1504 OXT GLY A 88 -4.815 -1.150 -14.974 1.00 1.00 O ATOM 0 H GLY A 88 -7.030 -3.820 -13.480 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -4.511 -3.408 -13.846 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -4.930 -3.717 -15.519 1.00 1.00 H new TER 1508 GLY A 88